{ "opencollection": "1.0.0", "info": { "name": "Materials Project API", "version": "0.86.4rc5.dev1+g77c2c1315" }, "request": { "auth": { "type": "apikey", "key": "X-API-KEY", "value": "{{X-API-KEY}}", "placement": "header" } }, "items": [ { "info": { "name": "DOIs", "type": "folder" }, "items": [ { "info": { "name": "Get DOIDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/doi/", "params": [ { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_id values to query on" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from DOIDoc as a list of comma separated strings. Fields include: `doi` `bibtex` `material_id`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get DOIDoc documents" } ] }, { "info": { "name": "Materials", "type": "folder" }, "items": [ { "info": { "name": "Get MaterialsDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/core/blessed_tasks/", "params": [ { "name": "run_type", "value": "", "type": "query", "description": "Calculation run type of blessed task data" }, { "name": "energy_min", "value": "", "type": "query", "description": "Minimum total uncorrected DFT energy in eV/atom" }, { "name": "energy_max", "value": "", "type": "query", "description": "Maximum total uncorrected DFT energy in eV/atom" }, { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_id values to query on" }, { "name": "formula", "value": "", "type": "query", "description": "Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be provided." }, { "name": "chemsys", "value": "", "type": "query", "description": "A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries" }, { "name": "elements", "value": "", "type": "query", "description": "Query by elements in the material composition as a comma-separated list" }, { "name": "exclude_elements", "value": "", "type": "query", "description": "Query by excluded elements in the material composition as a comma-separated list" }, { "name": "task_ids", "value": "", "type": "query", "description": "Comma-separated list of task_ids to query on" }, { "name": "deprecated", "value": "", "type": "query", "description": "Whether the material is marked as deprecated" }, { "name": "nsites_max", "value": "", "type": "query", "description": "Query for maximum value of nsites" }, { "name": "nsites_min", "value": "", "type": "query", "description": "Query for minimum value of nsites" }, { "name": "nsites", "value": "", "type": "query", "description": "Query for nsites being equal to an exact value" }, { "name": "nsites_not_eq", "value": "", "type": "query", "description": "Query for nsites being not equal to an exact value" }, { "name": "nsites_eq_any", "value": "", "type": "query", "description": "Query for nsites being any of these values. Provide a comma separated list." }, { "name": "nsites_neq_any", "value": "", "type": "query", "description": "Query for nsites being not any of these values. Provide a comma separated list." }, { "name": "nelements_max", "value": "", "type": "query", "description": "Query for maximum value of nelements" }, { "name": "nelements_min", "value": "", "type": "query", "description": "Query for minimum value of nelements" }, { "name": "nelements", "value": "", "type": "query", "description": "Query for nelements being equal to an exact value" }, { "name": "nelements_not_eq", "value": "", "type": "query", "description": "Query for nelements being not equal to an exact value" }, { "name": "nelements_eq_any", "value": "", "type": "query", "description": "Query for nelements being any of these values. Provide a comma separated list." }, { "name": "nelements_neq_any", "value": "", "type": "query", "description": "Query for nelements being not any of these values. Provide a comma separated list." }, { "name": "volume_max", "value": "", "type": "query", "description": "Query for maximum value of volume" }, { "name": "volume_min", "value": "", "type": "query", "description": "Query for minimum value of volume" }, { "name": "density_max", "value": "", "type": "query", "description": "Query for maximum value of density" }, { "name": "density_min", "value": "", "type": "query", "description": "Query for minimum value of density" }, { "name": "density_atomic_max", "value": "", "type": "query", "description": "Query for maximum value of density_atomic" }, { "name": "density_atomic_min", "value": "", "type": "query", "description": "Query for minimum value of density_atomic" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "license", "value": "", "type": "query", "description": "Query by license. Can be commercial or non-commercial, or both" }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from MaterialsDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `initial_structures` `task_ids` `deprecated_tasks` `calc_types` `created_at` `task_types` `run_types` `entries`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get MaterialsDoc documents" }, { "info": { "name": "Post FindStructure documents", "type": "http" }, "http": { "method": "POST", "url": "{{baseUrl}}/materials/core/find_structure/", "params": [ { "name": "ltol", "value": "", "type": "query", "description": "Fractional length tolerance. Default is 0.2." }, { "name": "stol", "value": "", "type": "query", "description": "Site tolerance. Defined as the fraction of the average free length per atom := ( V / Nsites ) ** (1/3). Default is 0.3." }, { "name": "angle_tol", "value": "", "type": "query", "description": "Angle tolerance in degrees. Default is 5 degrees." }, { "name": "_limit", "value": "", "type": "query", "description": "Maximum number of matches to show. Defaults to 1, only showing the best match." } ], "body": { "type": "json", "data": "{}" } }, "docs": "Post FindStructure documents" }, { "info": { "name": "Get FormulaAutocomplete documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/core/formula_autocomplete/", "params": [ { "name": "formula", "value": "", "type": "query", "description": "Human readable chemical formula." }, { "name": "limit", "value": "", "type": "query", "description": "Maximum number of matches to show. Defaults to 10." } ] }, "docs": "Get FormulaAutocomplete documents" }, { "info": { "name": "Get MaterialsDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/core/", "params": [ { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_id values to query on" }, { "name": "formula", "value": "", "type": "query", "description": "Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be provided." }, { "name": "chemsys", "value": "", "type": "query", "description": "A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries" }, { "name": "elements", "value": "", "type": "query", "description": "Query by elements in the material composition as a comma-separated list" }, { "name": "exclude_elements", "value": "", "type": "query", "description": "Query by excluded elements in the material composition as a comma-separated list" }, { "name": "task_ids", "value": "", "type": "query", "description": "Comma-separated list of task_ids to query on" }, { "name": "crystal_system", "value": "", "type": "query", "description": "Crystal system of the material. If a comma-separated string, will query by multiple crystal systems." }, { "name": "spacegroup_number", "value": "", "type": "query", "description": "Space group number of the material. If a comma-separated string, will query by multiple space group numbers." }, { "name": "spacegroup_symbol", "value": "", "type": "query", "description": "Space group symbol of the material. If a comma-separated string, will query by multiple space group numbers." }, { "name": "deprecated", "value": "", "type": "query", "description": "Whether the material is marked as deprecated" }, { "name": "nsites_max", "value": "", "type": "query", "description": "Query for maximum value of nsites" }, { "name": "nsites_min", "value": "", "type": "query", "description": "Query for minimum value of nsites" }, { "name": "nsites", "value": "", "type": "query", "description": "Query for nsites being equal to an exact value" }, { "name": "nsites_not_eq", "value": "", "type": "query", "description": "Query for nsites being not equal to an exact value" }, { "name": "nsites_eq_any", "value": "", "type": "query", "description": "Query for nsites being any of these values. Provide a comma separated list." }, { "name": "nsites_neq_any", "value": "", "type": "query", "description": "Query for nsites being not any of these values. Provide a comma separated list." }, { "name": "nelements_max", "value": "", "type": "query", "description": "Query for maximum value of nelements" }, { "name": "nelements_min", "value": "", "type": "query", "description": "Query for minimum value of nelements" }, { "name": "nelements", "value": "", "type": "query", "description": "Query for nelements being equal to an exact value" }, { "name": "nelements_not_eq", "value": "", "type": "query", "description": "Query for nelements being not equal to an exact value" }, { "name": "nelements_eq_any", "value": "", "type": "query", "description": "Query for nelements being any of these values. Provide a comma separated list." }, { "name": "nelements_neq_any", "value": "", "type": "query", "description": "Query for nelements being not any of these values. Provide a comma separated list." }, { "name": "volume_max", "value": "", "type": "query", "description": "Query for maximum value of volume" }, { "name": "volume_min", "value": "", "type": "query", "description": "Query for minimum value of volume" }, { "name": "density_max", "value": "", "type": "query", "description": "Query for maximum value of density" }, { "name": "density_min", "value": "", "type": "query", "description": "Query for minimum value of density" }, { "name": "density_atomic_max", "value": "", "type": "query", "description": "Query for maximum value of density_atomic" }, { "name": "density_atomic_min", "value": "", "type": "query", "description": "Query for minimum value of density_atomic" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from MaterialsDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `initial_structures` `task_ids` `deprecated_tasks` `calc_types` `created_at` `task_types` `run_types` `entries`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." }, { "name": "license", "value": "", "type": "query", "description": "Query by license. Can be commercial or non-commercial, or both" }, { "name": "batch_id", "value": "", "type": "query", "description": "Query by batch identifier" }, { "name": "batch_id_not_eq", "value": "", "type": "query", "description": "Exclude batch identifier" }, { "name": "batch_id_eq_any", "value": "", "type": "query", "description": "Query by a comma-separated list of batch identifiers" }, { "name": "batch_id_neq_any", "value": "", "type": "query", "description": "Exclude a comma-separated list of batch identifiers" } ] }, "docs": "Get MaterialsDoc documents" } ] }, { "info": { "name": "Materials Absorption", "type": "folder" }, "items": [ { "info": { "name": "Get AbsorptionDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/absorption/", "params": [ { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_id values to query on" }, { "name": "nsites_max", "value": "", "type": "query", "description": "Query for maximum value of nsites" }, { "name": "nsites_min", "value": "", "type": "query", "description": "Query for minimum value of nsites" }, { "name": "nsites", "value": "", "type": "query", "description": "Query for nsites being equal to an exact value" }, { "name": "nsites_not_eq", "value": "", "type": "query", "description": "Query for nsites being not equal to an exact value" }, { "name": "nsites_eq_any", "value": "", "type": "query", "description": "Query for nsites being any of these values. Provide a comma separated list." }, { "name": "nsites_neq_any", "value": "", "type": "query", "description": "Query for nsites being not any of these values. Provide a comma separated list." }, { "name": "nelements_max", "value": "", "type": "query", "description": "Query for maximum value of nelements" }, { "name": "nelements_min", "value": "", "type": "query", "description": "Query for minimum value of nelements" }, { "name": "nelements", "value": "", "type": "query", "description": "Query for nelements being equal to an exact value" }, { "name": "nelements_not_eq", "value": "", "type": "query", "description": "Query for nelements being not equal to an exact value" }, { "name": "nelements_eq_any", "value": "", "type": "query", "description": "Query for nelements being any of these values. Provide a comma separated list." }, { "name": "nelements_neq_any", "value": "", "type": "query", "description": "Query for nelements being not any of these values. Provide a comma separated list." }, { "name": "volume_max", "value": "", "type": "query", "description": "Query for maximum value of volume" }, { "name": "volume_min", "value": "", "type": "query", "description": "Query for minimum value of volume" }, { "name": "density_max", "value": "", "type": "query", "description": "Query for maximum value of density" }, { "name": "density_min", "value": "", "type": "query", "description": "Query for minimum value of density" }, { "name": "density_atomic_max", "value": "", "type": "query", "description": "Query for maximum value of density_atomic" }, { "name": "density_atomic_min", "value": "", "type": "query", "description": "Query for minimum value of density_atomic" }, { "name": "bandgap_max", "value": "", "type": "query", "description": "Query for maximum value of bandgap" }, { "name": "bandgap_min", "value": "", "type": "query", "description": "Query for minimum value of bandgap" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from AbsorptionDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `property_name` `task_id` `energies` `energy_max` `absorption_coefficient` `average_imaginary_dielectric` `average_real_dielectric` `bandgap` `nkpoints`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get AbsorptionDoc documents" } ] }, { "info": { "name": "Materials Bonds", "type": "folder" }, "items": [ { "info": { "name": "Get BondingDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/bonds/", "params": [ { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_id values to query on" }, { "name": "max_bond_length_max", "value": "", "type": "query", "description": "Maximum value for the maximum bond length in the structure." }, { "name": "max_bond_length_min", "value": "", "type": "query", "description": "Minimum value for the maximum bond length in the structure." }, { "name": "min_bond_length_max", "value": "", "type": "query", "description": "Maximum value for the minimum bond length in the structure." }, { "name": "min_bond_length_min", "value": "", "type": "query", "description": "Minimum value for the minimum bond length in the structure." }, { "name": "mean_bond_length_max", "value": "", "type": "query", "description": "Maximum value for the mean bond length in the structure." }, { "name": "mean_bond_length_min", "value": "", "type": "query", "description": "Minimum value for the mean bond length in the structure." }, { "name": "coordination_envs", "value": "", "type": "query", "description": "Query by coordination environments in the material composition as a comma-separated list (e.g. 'Mo-S(6),S-Mo(3)')" }, { "name": "coordination_envs_anonymous", "value": "", "type": "query", "description": "Query by anonymous coordination environments in the material composition as a comma-separated list (e.g. 'A-B(6),A-B(3)')" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from BondingDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `property_name` `structure_graph` `method` `bond_types` `bond_length_stats` `coordination_envs` `coordination_envs_anonymous`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get BondingDoc documents" } ] }, { "info": { "name": "Materials Chemical Environment", "type": "folder" }, "items": [ { "info": { "name": "Get ChemEnvDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/chemenv/", "params": [ { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_id values to query on" }, { "name": "chemenv_iucr", "value": "", "type": "query", "description": "A comma delimited string list of unique (cationic) species in IUCR format." }, { "name": "chemenv_iupac", "value": "", "type": "query", "description": "A comma delimited string list of unique (cationic) species in IUPAC format." }, { "name": "chemenv_name", "value": "", "type": "query", "description": "A comma delimited string list of coordination environment descriptions for unique (cationic) species." }, { "name": "chemenv_symbol", "value": "", "type": "query", "description": "A comma delimited string list of ChemEnv symbols for unique (cationic) species in the structure." }, { "name": "species", "value": "", "type": "query", "description": "A comma delimited string list of unique (cationic) species in the structure." }, { "name": "csm_min", "value": "", "type": "query", "description": "Minimum value of the continous symmetry measure for any site." }, { "name": "csm_max", "value": "", "type": "query", "description": "Maximum value of the continous symmetry measure for any site." }, { "name": "elements", "value": "", "type": "query", "description": "Query by elements in the material composition as a comma-separated list" }, { "name": "exclude_elements", "value": "", "type": "query", "description": "Query by excluded elements in the material composition as a comma-separated list" }, { "name": "nsites_max", "value": "", "type": "query", "description": "Query for maximum value of nsites" }, { "name": "nsites_min", "value": "", "type": "query", "description": "Query for minimum value of nsites" }, { "name": "nsites", "value": "", "type": "query", "description": "Query for nsites being equal to an exact value" }, { "name": "nsites_not_eq", "value": "", "type": "query", "description": "Query for nsites being not equal to an exact value" }, { "name": "nsites_eq_any", "value": "", "type": "query", "description": "Query for nsites being any of these values. Provide a comma separated list." }, { "name": "nsites_neq_any", "value": "", "type": "query", "description": "Query for nsites being not any of these values. Provide a comma separated list." }, { "name": "nelements_max", "value": "", "type": "query", "description": "Query for maximum value of nelements" }, { "name": "nelements_min", "value": "", "type": "query", "description": "Query for minimum value of nelements" }, { "name": "nelements", "value": "", "type": "query", "description": "Query for nelements being equal to an exact value" }, { "name": "nelements_not_eq", "value": "", "type": "query", "description": "Query for nelements being not equal to an exact value" }, { "name": "nelements_eq_any", "value": "", "type": "query", "description": "Query for nelements being any of these values. Provide a comma separated list." }, { "name": "nelements_neq_any", "value": "", "type": "query", "description": "Query for nelements being not any of these values. Provide a comma separated list." }, { "name": "volume_max", "value": "", "type": "query", "description": "Query for maximum value of volume" }, { "name": "volume_min", "value": "", "type": "query", "description": "Query for minimum value of volume" }, { "name": "density_max", "value": "", "type": "query", "description": "Query for maximum value of density" }, { "name": "density_min", "value": "", "type": "query", "description": "Query for minimum value of density" }, { "name": "density_atomic_max", "value": "", "type": "query", "description": "Query for maximum value of density_atomic" }, { "name": "density_atomic_min", "value": "", "type": "query", "description": "Query for minimum value of density_atomic" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from ChemEnvDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `property_name` `valences` `species` `chemenv_symbol` `chemenv_iupac` `chemenv_iucr` `chemenv_name` `chemenv_name_with_alternatives` `csm` `method` `mol_from_site_environments` `wyckoff_positions`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get ChemEnvDoc documents" } ] }, { "info": { "name": "Materials Tasks", "type": "folder" }, "items": [ { "info": { "name": "Get TrajectoryDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/tasks/trajectory/", "params": [ { "name": "task_ids", "value": "", "type": "query", "description": "Comma-separated list of task_ids to query on" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." } ] }, "docs": "Get TrajectoryDoc documents" }, { "info": { "name": "Get EntryDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/tasks/entries/", "params": [ { "name": "task_ids", "value": "", "type": "query", "description": "Comma-separated list of task_ids to query on" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." } ] }, "docs": "Get EntryDoc documents" }, { "info": { "name": "Get DeprecationDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/tasks/deprecation/", "params": [ { "name": "task_ids", "value": "", "type": "query", "description": "Comma-separated list of task_ids to query on" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." } ] }, "docs": "Get DeprecationDoc documents" }, { "info": { "name": "Get TaskDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/tasks/", "params": [ { "name": "batch_id", "value": "", "type": "query", "description": "Query by batch identifier" }, { "name": "batch_id_not_eq", "value": "", "type": "query", "description": "Exclude batch identifier" }, { "name": "batch_id_eq_any", "value": "", "type": "query", "description": "Query by a comma-separated list of batch identifiers" }, { "name": "batch_id_neq_any", "value": "", "type": "query", "description": "Exclude a comma-separated list of batch identifiers" }, { "name": "formula", "value": "", "type": "query", "description": "Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be provided." }, { "name": "elements", "value": "", "type": "query", "description": "Query by elements in the material composition as a comma-separated list" }, { "name": "exclude_elements", "value": "", "type": "query", "description": "Query by excluded elements in the material composition as a comma-separated list" }, { "name": "task_ids", "value": "", "type": "query", "description": "Comma-separated list of task_ids to query on" }, { "name": "last_updated_min", "value": "", "type": "query", "description": "Minimum last updated UTC datetime" }, { "name": "last_updated_max", "value": "", "type": "query", "description": "Maximum last updated UTC datetime" }, { "name": "_forward", "value": "", "type": "query", "description": "Whether to page forward (True) or backward (False) in the search results." }, { "name": "_pagination_token", "value": "", "type": "query", "description": "Pagination token for the next set of results." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from TaskDoc as a list of comma separated strings. Fields include: `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `batch_id` `calc_type` `completed_at` `dir_name` `icsd_id` `input` `last_updated` `orig_inputs` `output` `run_type` `structure` `tags` `task_id` `task_type` `transformations` `vasp_objects` `vasp_version` `additional_json` `analysis` `author` `calcs_reversed` `custodian` `entry` `included_objects` `run_stats` `state` `task_label`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get TaskDoc documents" } ] }, { "info": { "name": "Materials Thermo", "type": "folder" }, "items": [ { "info": { "name": "Get ThermoDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/thermo/", "params": [ { "name": "thermo_ids", "value": "", "type": "query", "description": "Comma-separated list of thermo_id values to query on" }, { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_id values to query on" }, { "name": "thermo_types", "value": "", "type": "query", "description": "Comma-separated list of thermo_type values to query on" }, { "name": "formula", "value": "", "type": "query", "description": "Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be provided." }, { "name": "chemsys", "value": "", "type": "query", "description": "A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries" }, { "name": "is_stable", "value": "", "type": "query", "description": "Whether the material is stable." }, { "name": "nsites_max", "value": "", "type": "query", "description": "Query for maximum value of nsites" }, { "name": "nsites_min", "value": "", "type": "query", "description": "Query for minimum value of nsites" }, { "name": "nsites", "value": "", "type": "query", "description": "Query for nsites being equal to an exact value" }, { "name": "nsites_not_eq", "value": "", "type": "query", "description": "Query for nsites being not equal to an exact value" }, { "name": "nsites_eq_any", "value": "", "type": "query", "description": "Query for nsites being any of these values. Provide a comma separated list." }, { "name": "nsites_neq_any", "value": "", "type": "query", "description": "Query for nsites being not any of these values. Provide a comma separated list." }, { "name": "nelements_max", "value": "", "type": "query", "description": "Query for maximum value of nelements" }, { "name": "nelements_min", "value": "", "type": "query", "description": "Query for minimum value of nelements" }, { "name": "nelements", "value": "", "type": "query", "description": "Query for nelements being equal to an exact value" }, { "name": "nelements_not_eq", "value": "", "type": "query", "description": "Query for nelements being not equal to an exact value" }, { "name": "nelements_eq_any", "value": "", "type": "query", "description": "Query for nelements being any of these values. Provide a comma separated list." }, { "name": "nelements_neq_any", "value": "", "type": "query", "description": "Query for nelements being not any of these values. Provide a comma separated list." }, { "name": "volume_max", "value": "", "type": "query", "description": "Query for maximum value of volume" }, { "name": "volume_min", "value": "", "type": "query", "description": "Query for minimum value of volume" }, { "name": "density_max", "value": "", "type": "query", "description": "Query for maximum value of density" }, { "name": "density_min", "value": "", "type": "query", "description": "Query for minimum value of density" }, { "name": "density_atomic_max", "value": "", "type": "query", "description": "Query for maximum value of density_atomic" }, { "name": "density_atomic_min", "value": "", "type": "query", "description": "Query for minimum value of density_atomic" }, { "name": "uncorrected_energy_per_atom_max", "value": "", "type": "query", "description": "Query for maximum value of uncorrected_energy_per_atom" }, { "name": "uncorrected_energy_per_atom_min", "value": "", "type": "query", "description": "Query for minimum value of uncorrected_energy_per_atom" }, { "name": "energy_per_atom_max", "value": "", "type": "query", "description": "Query for maximum value of energy_per_atom" }, { "name": "energy_per_atom_min", "value": "", "type": "query", "description": "Query for minimum value of energy_per_atom" }, { "name": "energy_uncertainy_per_atom_max", "value": "", "type": "query", "description": "Query for maximum value of energy_uncertainy_per_atom" }, { "name": "energy_uncertainy_per_atom_min", "value": "", "type": "query", "description": "Query for minimum value of energy_uncertainy_per_atom" }, { "name": "formation_energy_per_atom_max", "value": "", "type": "query", "description": "Query for maximum value of formation_energy_per_atom" }, { "name": "formation_energy_per_atom_min", "value": "", "type": "query", "description": "Query for minimum value of formation_energy_per_atom" }, { "name": "energy_above_hull_max", "value": "", "type": "query", "description": "Query for maximum value of energy_above_hull" }, { "name": "energy_above_hull_min", "value": "", "type": "query", "description": "Query for minimum value of energy_above_hull" }, { "name": "equilibrium_reaction_energy_per_atom_max", "value": "", "type": "query", "description": "Query for maximum value of equilibrium_reaction_energy_per_atom" }, { "name": "equilibrium_reaction_energy_per_atom_min", "value": "", "type": "query", "description": "Query for minimum value of equilibrium_reaction_energy_per_atom" }, { "name": "decomposition_enthalpy_max", "value": "", "type": "query", "description": "Query for maximum value of decomposition_enthalpy" }, { "name": "decomposition_enthalpy_min", "value": "", "type": "query", "description": "Query for minimum value of decomposition_enthalpy" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from ThermoDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `property_name` `thermo_type` `thermo_id` `uncorrected_energy_per_atom` `energy_per_atom` `energy_uncertainy_per_atom` `formation_energy_per_atom` `energy_above_hull` `is_stable` `equilibrium_reaction_energy_per_atom` `decomposes_to` `decomposition_enthalpy` `decomposition_enthalpy_decomposes_to` `energy_type` `entry_types` `entries`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." }, { "name": "license", "value": "", "type": "query", "description": "Query by license. Can be commercial or non-commercial, or both" } ] }, "docs": "Get ThermoDoc documents" } ] }, { "info": { "name": "Materials Dielectric", "type": "folder" }, "items": [ { "info": { "name": "Get DielectricDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/dielectric/", "params": [ { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_id values to query on" }, { "name": "e_total_max", "value": "", "type": "query", "description": "Maximum value for the total dielectric constant." }, { "name": "e_total_min", "value": "", "type": "query", "description": "Minimum value for the total dielectric constant." }, { "name": "e_ionic_max", "value": "", "type": "query", "description": "Maximum value for the ionic dielectric constant." }, { "name": "e_ionic_min", "value": "", "type": "query", "description": "Minimum value for the ionic dielectric constant." }, { "name": "e_electronic_max", "value": "", "type": "query", "description": "Maximum value for the electronic dielectric constant." }, { "name": "e_electronic_min", "value": "", "type": "query", "description": "Minimum value for the electronic dielectric constant." }, { "name": "n_max", "value": "", "type": "query", "description": "Maximum value for the refractive index." }, { "name": "n_min", "value": "", "type": "query", "description": "Minimum value for the refractive index." }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from DielectricDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `property_name` `total` `ionic` `electronic` `e_total` `e_ionic` `e_electronic` `n`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get DielectricDoc documents" } ] }, { "info": { "name": "Materials Piezoelectric", "type": "folder" }, "items": [ { "info": { "name": "Get PiezoelectricDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/piezoelectric/", "params": [ { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_id values to query on" }, { "name": "piezo_modulus_max", "value": "", "type": "query", "description": "Maximum value for the piezoelectric modulus in C/m²." }, { "name": "piezo_modulus_min", "value": "", "type": "query", "description": "Minimum value for the piezoelectric modulus in C/m²." }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from PiezoelectricDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `property_name` `total` `ionic` `electronic` `e_ij_max` `max_direction` `strain_for_max`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get PiezoelectricDoc documents" } ] }, { "info": { "name": "Materials Magnetism", "type": "folder" }, "items": [ { "info": { "name": "Get MagnetismDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/magnetism/", "params": [ { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_id values to query on" }, { "name": "ordering", "value": "", "type": "query", "description": "Magnetic ordering of the material." }, { "name": "total_magnetization_max", "value": "", "type": "query", "description": "Maximum value for the total magnetization." }, { "name": "total_magnetization_min", "value": "", "type": "query", "description": "Minimum value for the total magnetization." }, { "name": "total_magnetization_normalized_vol_max", "value": "", "type": "query", "description": "Maximum value for the total magnetization normalized with volume." }, { "name": "total_magnetization_normalized_vol_min", "value": "", "type": "query", "description": "Minimum value for the total magnetization normalized with volume." }, { "name": "total_magnetization_normalized_formula_units_max", "value": "", "type": "query", "description": "Maximum value for the total magnetization normalized with formula units." }, { "name": "total_magnetization_normalized_formula_units_min", "value": "", "type": "query", "description": "Minimum value for the total magnetization normalized with formula units." }, { "name": "num_magnetic_sites_max", "value": "", "type": "query", "description": "Maximum value for the total number of magnetic sites." }, { "name": "num_magnetic_sites_min", "value": "", "type": "query", "description": "Minimum value for the total number of magnetic sites." }, { "name": "num_unique_magnetic_sites_max", "value": "", "type": "query", "description": "Maximum value for the total number of unique magnetic sites." }, { "name": "num_unique_magnetic_sites_min", "value": "", "type": "query", "description": "Minimum value for the total number of unique magnetic sites." }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from MagnetismDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `property_name` `ordering` `is_magnetic` `exchange_symmetry` `num_magnetic_sites` `num_unique_magnetic_sites` `types_of_magnetic_species` `magmoms` `total_magnetization` `total_magnetization_normalized_vol` `total_magnetization_normalized_formula_units`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get MagnetismDoc documents" } ] }, { "info": { "name": "Materials Phonon", "type": "folder" }, "items": [ { "info": { "name": "Get PhononBSDOSDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/phonon/", "params": [ { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_id values to query on" }, { "name": "formula", "value": "", "type": "query", "description": "Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be provided." }, { "name": "chemsys", "value": "", "type": "query", "description": "A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries" }, { "name": "elements", "value": "", "type": "query", "description": "Query by elements in the material composition as a comma-separated list" }, { "name": "exclude_elements", "value": "", "type": "query", "description": "Query by excluded elements in the material composition as a comma-separated list" }, { "name": "crystal_system", "value": "", "type": "query", "description": "Crystal system of the material. If a comma-separated string, will query by multiple crystal systems." }, { "name": "spacegroup_number", "value": "", "type": "query", "description": "Space group number of the material. If a comma-separated string, will query by multiple space group numbers." }, { "name": "spacegroup_symbol", "value": "", "type": "query", "description": "Space group symbol of the material. If a comma-separated string, will query by multiple space group numbers." }, { "name": "phonon_method", "value": "", "type": "query", "description": "Phonon Method to search for" }, { "name": "nsites_max", "value": "", "type": "query", "description": "Query for maximum value of nsites" }, { "name": "nsites_min", "value": "", "type": "query", "description": "Query for minimum value of nsites" }, { "name": "nsites", "value": "", "type": "query", "description": "Query for nsites being equal to an exact value" }, { "name": "nsites_not_eq", "value": "", "type": "query", "description": "Query for nsites being not equal to an exact value" }, { "name": "nsites_eq_any", "value": "", "type": "query", "description": "Query for nsites being any of these values. Provide a comma separated list." }, { "name": "nsites_neq_any", "value": "", "type": "query", "description": "Query for nsites being not any of these values. Provide a comma separated list." }, { "name": "nelements_max", "value": "", "type": "query", "description": "Query for maximum value of nelements" }, { "name": "nelements_min", "value": "", "type": "query", "description": "Query for minimum value of nelements" }, { "name": "nelements", "value": "", "type": "query", "description": "Query for nelements being equal to an exact value" }, { "name": "nelements_not_eq", "value": "", "type": "query", "description": "Query for nelements being not equal to an exact value" }, { "name": "nelements_eq_any", "value": "", "type": "query", "description": "Query for nelements being any of these values. Provide a comma separated list." }, { "name": "nelements_neq_any", "value": "", "type": "query", "description": "Query for nelements being not any of these values. Provide a comma separated list." }, { "name": "volume_max", "value": "", "type": "query", "description": "Query for maximum value of volume" }, { "name": "volume_min", "value": "", "type": "query", "description": "Query for minimum value of volume" }, { "name": "density_max", "value": "", "type": "query", "description": "Query for maximum value of density" }, { "name": "density_min", "value": "", "type": "query", "description": "Query for minimum value of density" }, { "name": "density_atomic_max", "value": "", "type": "query", "description": "Query for maximum value of density_atomic" }, { "name": "density_atomic_min", "value": "", "type": "query", "description": "Query for minimum value of density_atomic" }, { "name": "total_dft_energy_max", "value": "", "type": "query", "description": "Query for maximum value of total_dft_energy" }, { "name": "total_dft_energy_min", "value": "", "type": "query", "description": "Query for minimum value of total_dft_energy" }, { "name": "volume_per_formula_unit_max", "value": "", "type": "query", "description": "Query for maximum value of volume_per_formula_unit" }, { "name": "volume_per_formula_unit_min", "value": "", "type": "query", "description": "Query for minimum value of volume_per_formula_unit" }, { "name": "formula_units_max", "value": "", "type": "query", "description": "Query for maximum value of formula_units" }, { "name": "formula_units_min", "value": "", "type": "query", "description": "Query for minimum value of formula_units" }, { "name": "formula_units", "value": "", "type": "query", "description": "Query for formula_units being equal to an exact value" }, { "name": "formula_units_not_eq", "value": "", "type": "query", "description": "Query for formula_units being not equal to an exact value" }, { "name": "formula_units_eq_any", "value": "", "type": "query", "description": "Query for formula_units being any of these values. Provide a comma separated list." }, { "name": "formula_units_neq_any", "value": "", "type": "query", "description": "Query for formula_units being not any of these values. Provide a comma separated list." }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from PhononBSDOSDoc as a list of comma separated strings. Fields include: `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `identifier` `phonon_method` `phonon_bandstructure` `phonon_dos` `epsilon_static` `epsilon_electronic` `born` `force_constants` `last_updated` `sum_rules_breaking` `structure` `total_dft_energy` `volume_per_formula_unit` `formula_units` `supercell_matrix` `primitive_matrix` `code` `post_process_settings` `thermal_displacement_data` `calc_meta` `material_id` `task_ids`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get PhononBSDOSDoc documents" } ] }, { "info": { "name": "Materials EOS", "type": "folder" }, "items": [ { "info": { "name": "Get EOSDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/eos/", "params": [ { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_id values to query on" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from EOSDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `energies` `volumes` `eos`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get EOSDoc documents" } ] }, { "info": { "name": "Materials Similarity", "type": "folder" }, "items": [ { "info": { "name": "Get SimilarityDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/similarity/", "params": [ { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_id values to query on" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from SimilarityDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `property_name` `sim` `feature_vector` `method`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get SimilarityDoc documents" }, { "info": { "name": "Get SimilarityDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/similarity/match/", "params": [ { "name": "feature_vector_hex", "value": "", "type": "query", "description": "A compressed, hex representation of a row unit vector of floats." }, { "name": "feature_vector_norm", "value": "", "type": "query", "description": "The norm of the feature vector" }, { "name": "method", "value": "", "type": "query", "description": "The method used to embed a structure as a feature vector." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 10 by default" } ] }, "docs": "Get SimilarityDoc documents" } ] }, { "info": { "name": "Materials XAS", "type": "folder" }, "items": [ { "info": { "name": "Get XASDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/xas/", "params": [ { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_id values to query on" }, { "name": "formula", "value": "", "type": "query", "description": "Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be provided." }, { "name": "chemsys", "value": "", "type": "query", "description": "A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries" }, { "name": "elements", "value": "", "type": "query", "description": "Query by elements in the material composition as a comma-separated list" }, { "name": "exclude_elements", "value": "", "type": "query", "description": "Query by excluded elements in the material composition as a comma-separated list" }, { "name": "edge", "value": "", "type": "query" }, { "name": "spectrum_type", "value": "", "type": "query" }, { "name": "absorbing_element", "value": "", "type": "query" }, { "name": "spectrum_ids", "value": "", "type": "query", "description": "Comma-separated list of spectrum_id to query on" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from XASDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `spectrum_name` `material_id` `spectrum_id` `last_updated` `warnings` `spectrum` `task_ids` `absorbing_element` `spectrum_type` `edge`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." }, { "name": "_sort_fields", "value": "", "type": "query", "description": "Comma delimited fields to sort with. Prefixing '-' to a field will force a sort in descending order." } ] }, "docs": "Get XASDoc documents" } ] }, { "info": { "name": "Materials Grain Boundaries", "type": "folder" }, "items": [ { "info": { "name": "Get GrainBoundaryDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/grain_boundaries/", "params": [ { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_id values to query on" }, { "name": "task_ids", "value": "", "type": "query", "description": "Comma-separated list of Materials Project IDs to query on." }, { "name": "sigma_max", "value": "", "type": "query", "description": "Query for maximum value of sigma" }, { "name": "sigma_min", "value": "", "type": "query", "description": "Query for minimum value of sigma" }, { "name": "sigma", "value": "", "type": "query", "description": "Value of sigma." }, { "name": "sigma_not_eq", "value": "", "type": "query", "description": "Query for sigma being not equal to an exact value" }, { "name": "sigma_eq_any", "value": "", "type": "query", "description": "Query for sigma being any of these values. Provide a comma separated list." }, { "name": "sigma_neq_any", "value": "", "type": "query", "description": "Query for sigma being not any of these values. Provide a comma separated list." }, { "name": "rotation_angle_max", "value": "", "type": "query", "description": "Query for maximum value of rotation_angle" }, { "name": "rotation_angle_min", "value": "", "type": "query", "description": "Query for minimum value of rotation_angle" }, { "name": "gb_energy_max", "value": "", "type": "query", "description": "Query for maximum value of gb_energy" }, { "name": "gb_energy_min", "value": "", "type": "query", "description": "Query for minimum value of gb_energy" }, { "name": "w_sep_max", "value": "", "type": "query", "description": "Query for maximum value of w_sep" }, { "name": "w_sep_min", "value": "", "type": "query", "description": "Query for minimum value of w_sep" }, { "name": "type", "value": "", "type": "query", "description": "Grain boundary type." }, { "name": "chemsys", "value": "", "type": "query", "description": "Dash-delimited string of elements in the material." }, { "name": "pretty_formula", "value": "", "type": "query", "description": "Formula of the material." }, { "name": "gb_plane", "value": "", "type": "query", "description": "Miller index of the grain boundary plane as comma delimitd integers." }, { "name": "rotation_axis", "value": "", "type": "query", "description": "Miller index of the rotation axis as comma delimitd integers." }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from GrainBoundaryDoc as a list of comma separated strings. Fields include: `material_id` `sigma` `type` `rotation_axis` `gb_plane` `rotation_angle` `gb_energy` `initial_structure` `final_structure` `pretty_formula` `w_sep` `structure` `chemsys` `last_updated`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get GrainBoundaryDoc documents" } ] }, { "info": { "name": "Materials Electronic Structure", "type": "folder" }, "items": [ { "info": { "name": "Get FermiDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/fermi/", "params": [ { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_id values to query on" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from FermiDoc as a list of comma separated strings. Fields include: `fermi_surfaces` `surface_types` `material_id` `last_updated`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get FermiDoc documents" }, { "info": { "name": "Get ElectronicStructureDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/electronic_structure/bandstructure/", "params": [ { "name": "path_type", "value": "", "type": "query", "description": "k-path selection convention for the band structure." }, { "name": "band_gap_max", "value": "", "type": "query", "description": "Maximum value for the band gap energy in eV." }, { "name": "band_gap_min", "value": "", "type": "query", "description": "Minimum value for the band gap energy in eV." }, { "name": "efermi_max", "value": "", "type": "query", "description": "Maximum value for the fermi energy in eV." }, { "name": "efermi_min", "value": "", "type": "query", "description": "Minimum value for the fermi energy in eV." }, { "name": "magnetic_ordering", "value": "", "type": "query", "description": "Magnetic ordering associated with the data." }, { "name": "is_gap_direct", "value": "", "type": "query", "description": "Whether a band gap is direct or not." }, { "name": "is_metal", "value": "", "type": "query", "description": "Whether the material is considered a metal." }, { "name": "deprecated", "value": "", "type": "query", "description": "Whether the material is marked as deprecated" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from ElectronicStructureDoc as a list of comma separated strings. Fields include: `task_id` `band_gap` `cbm` `vbm` `efermi` `is_gap_direct` `is_metal` `magnetic_ordering` `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `property_name` `bandstructure` `dos`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get ElectronicStructureDoc documents" }, { "info": { "name": "Get ElectronicStructureDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/electronic_structure/dos/", "params": [ { "name": "projection_type", "value": "", "type": "query", "description": "Projection type for the density of states data." }, { "name": "spin", "value": "", "type": "query", "description": "Spin channel for density of states data. '1' corresponds to spin up." }, { "name": "element", "value": "", "type": "query", "description": "Element type for projected density of states data." }, { "name": "orbital", "value": "", "type": "query", "description": "Orbital type for projected density of states data." }, { "name": "band_gap_max", "value": "", "type": "query", "description": "Maximum value for the band gap energy in eV." }, { "name": "band_gap_min", "value": "", "type": "query", "description": "Minimum value for the band gap energy in eV." }, { "name": "efermi_max", "value": "", "type": "query", "description": "Maximum value for the fermi energy in eV." }, { "name": "efermi_min", "value": "", "type": "query", "description": "Minimum value for the fermi energy in eV." }, { "name": "magnetic_ordering", "value": "", "type": "query", "description": "Magnetic ordering associated with the data." }, { "name": "deprecated", "value": "", "type": "query", "description": "Whether the material is marked as deprecated" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from ElectronicStructureDoc as a list of comma separated strings. Fields include: `task_id` `band_gap` `cbm` `vbm` `efermi` `is_gap_direct` `is_metal` `magnetic_ordering` `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `property_name` `bandstructure` `dos`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get ElectronicStructureDoc documents" }, { "info": { "name": "Get ElectronicStructureDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/electronic_structure/", "params": [ { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_id values to query on" }, { "name": "magnetic_ordering", "value": "", "type": "query", "description": "Magnetic ordering associated with the data." }, { "name": "is_gap_direct", "value": "", "type": "query", "description": "Whether a band gap is direct or not." }, { "name": "is_metal", "value": "", "type": "query", "description": "Whether the material is considered a metal." }, { "name": "formula", "value": "", "type": "query", "description": "Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be provided." }, { "name": "chemsys", "value": "", "type": "query", "description": "A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries" }, { "name": "elements", "value": "", "type": "query", "description": "Query by elements in the material composition as a comma-separated list" }, { "name": "exclude_elements", "value": "", "type": "query", "description": "Query by excluded elements in the material composition as a comma-separated list" }, { "name": "band_gap_max", "value": "", "type": "query", "description": "Query for maximum value of band_gap" }, { "name": "band_gap_min", "value": "", "type": "query", "description": "Query for minimum value of band_gap" }, { "name": "cbm_max", "value": "", "type": "query", "description": "Query for maximum value of cbm" }, { "name": "cbm_min", "value": "", "type": "query", "description": "Query for minimum value of cbm" }, { "name": "vbm_max", "value": "", "type": "query", "description": "Query for maximum value of vbm" }, { "name": "vbm_min", "value": "", "type": "query", "description": "Query for minimum value of vbm" }, { "name": "efermi_max", "value": "", "type": "query", "description": "Query for maximum value of efermi" }, { "name": "efermi_min", "value": "", "type": "query", "description": "Query for minimum value of efermi" }, { "name": "nsites_max", "value": "", "type": "query", "description": "Query for maximum value of nsites" }, { "name": "nsites_min", "value": "", "type": "query", "description": "Query for minimum value of nsites" }, { "name": "nsites", "value": "", "type": "query", "description": "Query for nsites being equal to an exact value" }, { "name": "nsites_not_eq", "value": "", "type": "query", "description": "Query for nsites being not equal to an exact value" }, { "name": "nsites_eq_any", "value": "", "type": "query", "description": "Query for nsites being any of these values. Provide a comma separated list." }, { "name": "nsites_neq_any", "value": "", "type": "query", "description": "Query for nsites being not any of these values. Provide a comma separated list." }, { "name": "nelements_max", "value": "", "type": "query", "description": "Query for maximum value of nelements" }, { "name": "nelements_min", "value": "", "type": "query", "description": "Query for minimum value of nelements" }, { "name": "nelements", "value": "", "type": "query", "description": "Query for nelements being equal to an exact value" }, { "name": "nelements_not_eq", "value": "", "type": "query", "description": "Query for nelements being not equal to an exact value" }, { "name": "nelements_eq_any", "value": "", "type": "query", "description": "Query for nelements being any of these values. Provide a comma separated list." }, { "name": "nelements_neq_any", "value": "", "type": "query", "description": "Query for nelements being not any of these values. Provide a comma separated list." }, { "name": "volume_max", "value": "", "type": "query", "description": "Query for maximum value of volume" }, { "name": "volume_min", "value": "", "type": "query", "description": "Query for minimum value of volume" }, { "name": "density_max", "value": "", "type": "query", "description": "Query for maximum value of density" }, { "name": "density_min", "value": "", "type": "query", "description": "Query for minimum value of density" }, { "name": "density_atomic_max", "value": "", "type": "query", "description": "Query for maximum value of density_atomic" }, { "name": "density_atomic_min", "value": "", "type": "query", "description": "Query for minimum value of density_atomic" }, { "name": "deprecated", "value": "", "type": "query", "description": "Whether the material is marked as deprecated" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from ElectronicStructureDoc as a list of comma separated strings. Fields include: `task_id` `band_gap` `cbm` `vbm` `efermi` `is_gap_direct` `is_metal` `magnetic_ordering` `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `property_name` `bandstructure` `dos`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get ElectronicStructureDoc documents" } ] }, { "info": { "name": "Materials Elasticity", "type": "folder" }, "items": [ { "info": { "name": "Get ElasticityDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/elasticity/", "params": [ { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_id values to query on" }, { "name": "chemsys", "value": "", "type": "query", "description": "A comma delimited string list of chemical systems." }, { "name": "k_voigt_max", "value": "", "type": "query", "description": "Maximum value for the Voigt average of the bulk modulus in GPa." }, { "name": "k_voigt_min", "value": "", "type": "query", "description": "Minimum value for the Voigt average of the bulk modulus in GPa." }, { "name": "k_reuss_max", "value": "", "type": "query", "description": "Maximum value for the Reuss average of the bulk modulus in GPa." }, { "name": "k_reuss_min", "value": "", "type": "query", "description": "Minimum value for the Reuss average of the bulk modulus in GPa." }, { "name": "k_vrh_max", "value": "", "type": "query", "description": "Maximum value for the Voigt-Reuss-Hill average of the bulk modulus in GPa." }, { "name": "k_vrh_min", "value": "", "type": "query", "description": "Minimum value for the Voigt-Reuss-Hill average of the bulk modulus in GPa." }, { "name": "g_voigt_max", "value": "", "type": "query", "description": "Maximum value for the Voigt average of the shear modulus in GPa." }, { "name": "g_voigt_min", "value": "", "type": "query", "description": "Minimum value for the Voigt average of the shear modulus in GPa." }, { "name": "g_reuss_max", "value": "", "type": "query", "description": "Maximum value for the Reuss average of the shear modulus in GPa." }, { "name": "g_reuss_min", "value": "", "type": "query", "description": "Minimum value for the Reuss average of the shear modulus in GPa." }, { "name": "g_vrh_max", "value": "", "type": "query", "description": "Maximum value for the Voigt-Reuss-Hill average of the shear modulus in GPa." }, { "name": "g_vrh_min", "value": "", "type": "query", "description": "Minimum value for the Voigt-Reuss-Hill average of the shear modulus in GPa." }, { "name": "elastic_anisotropy_max", "value": "", "type": "query", "description": "Maximum value for the elastic anisotropy." }, { "name": "elastic_anisotropy_min", "value": "", "type": "query", "description": "Maximum value for the elastic anisotropy." }, { "name": "poisson_max", "value": "", "type": "query", "description": "Maximum value for Poisson's ratio." }, { "name": "poisson_min", "value": "", "type": "query", "description": "Minimum value for Poisson's ratio." }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from ElasticityDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `property_name` `order` `elastic_tensor` `compliance_tensor` `bulk_modulus` `shear_modulus` `sound_velocity` `thermal_conductivity` `young_modulus` `universal_anisotropy` `homogeneous_poisson` `debye_temperature` `fitting_data` `fitting_method` `state`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get ElasticityDoc documents" } ] }, { "info": { "name": "Materials Substrates", "type": "folder" }, "items": [ { "info": { "name": "Get SubstratesDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/substrates/", "params": [ { "name": "film_orientation", "value": "", "type": "query", "description": "Comma separated integers defining the film surface orientation." }, { "name": "substrate_orientation", "value": "", "type": "query", "description": "Comma separated integers defining the substrate surface orientation." }, { "name": "area_max", "value": "", "type": "query", "description": "Query for maximum value of area" }, { "name": "area_min", "value": "", "type": "query", "description": "Query for minimum value of area" }, { "name": "energy_max", "value": "", "type": "query", "description": "Query for maximum value of energy" }, { "name": "energy_min", "value": "", "type": "query", "description": "Query for minimum value of energy" }, { "name": "norients_max", "value": "", "type": "query", "description": "Query for maximum value of norients" }, { "name": "norients_min", "value": "", "type": "query", "description": "Query for minimum value of norients" }, { "name": "norients", "value": "", "type": "query", "description": "Query for norients being equal to an exact value" }, { "name": "norients_not_eq", "value": "", "type": "query", "description": "Query for norients being not equal to an exact value" }, { "name": "norients_eq_any", "value": "", "type": "query", "description": "Query for norients being any of these values. Provide a comma separated list." }, { "name": "norients_neq_any", "value": "", "type": "query", "description": "Query for norients being not any of these values. Provide a comma separated list." }, { "name": "sub_form", "value": "", "type": "query", "description": "Query for sub_form being equal to a value" }, { "name": "sub_form_not_eq", "value": "", "type": "query", "description": "Query for sub_form being not equal to a value" }, { "name": "sub_form_eq_any", "value": "", "type": "query", "description": "Query for sub_form being any of these values. Provide a comma separated list." }, { "name": "sub_form_neq_any", "value": "", "type": "query", "description": "Query for sub_form being not any of these values. Provide a comma separated list" }, { "name": "sub_id", "value": "", "type": "query", "description": "Query for sub_id being equal to a value" }, { "name": "sub_id_not_eq", "value": "", "type": "query", "description": "Query for sub_id being not equal to a value" }, { "name": "sub_id_eq_any", "value": "", "type": "query", "description": "Query for sub_id being any of these values. Provide a comma separated list." }, { "name": "sub_id_neq_any", "value": "", "type": "query", "description": "Query for sub_id being not any of these values. Provide a comma separated list" }, { "name": "film_id", "value": "", "type": "query", "description": "Query for film_id being equal to a value" }, { "name": "film_id_not_eq", "value": "", "type": "query", "description": "Query for film_id being not equal to a value" }, { "name": "film_id_eq_any", "value": "", "type": "query", "description": "Query for film_id being any of these values. Provide a comma separated list." }, { "name": "film_id_neq_any", "value": "", "type": "query", "description": "Query for film_id being not any of these values. Provide a comma separated list" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from SubstratesDoc as a list of comma separated strings. Fields include: `sub_form` `sub_id` `film_orient` `area` `energy` `film_id` `norients` `orient`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get SubstratesDoc documents" } ] }, { "info": { "name": "Materials Surface Properties", "type": "folder" }, "items": [ { "info": { "name": "Get SurfacePropDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/surface_properties/", "params": [ { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_id values to query on" }, { "name": "weighted_surface_energy_EV_PER_ANG2_max", "value": "", "type": "query", "description": "Query for maximum value of weighted_surface_energy_EV_PER_ANG2" }, { "name": "weighted_surface_energy_EV_PER_ANG2_min", "value": "", "type": "query", "description": "Query for minimum value of weighted_surface_energy_EV_PER_ANG2" }, { "name": "weighted_surface_energy_max", "value": "", "type": "query", "description": "Query for maximum value of weighted_surface_energy" }, { "name": "weighted_surface_energy_min", "value": "", "type": "query", "description": "Query for minimum value of weighted_surface_energy" }, { "name": "surface_anisotropy_max", "value": "", "type": "query", "description": "Query for maximum value of surface_anisotropy" }, { "name": "surface_anisotropy_min", "value": "", "type": "query", "description": "Query for minimum value of surface_anisotropy" }, { "name": "shape_factor_max", "value": "", "type": "query", "description": "Query for maximum value of shape_factor" }, { "name": "shape_factor_min", "value": "", "type": "query", "description": "Query for minimum value of shape_factor" }, { "name": "weighted_work_function_max", "value": "", "type": "query", "description": "Query for maximum value of weighted_work_function" }, { "name": "weighted_work_function_min", "value": "", "type": "query", "description": "Query for minimum value of weighted_work_function" }, { "name": "has_reconstructed", "value": "", "type": "query", "description": "Whether the entry has a reconstructed surface." }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from SurfacePropDoc as a list of comma separated strings. Fields include: `surfaces` `weighted_surface_energy_EV_PER_ANG2` `weighted_surface_energy` `surface_anisotropy` `pretty_formula` `shape_factor` `weighted_work_function` `has_reconstructed` `material_id` `structure`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get SurfacePropDoc documents" } ] }, { "info": { "name": "Materials Robocrystallographer", "type": "folder" }, "items": [ { "info": { "name": "Get RobocrystallogapherDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/robocrys/text_search/", "params": [ { "name": "keywords", "value": "", "type": "query", "description": "Comma delimited string keywords to search robocrystallographer description text with" }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search" }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000 by default" } ] }, "docs": "Get RobocrystallogapherDoc documents" }, { "info": { "name": "Get RobocrystallogapherDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/robocrys/", "params": [ { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_id values to query on" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from RobocrystallogapherDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `property_name` `description` `condensed_structure` `robocrys_version`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get RobocrystallogapherDoc documents" } ] }, { "info": { "name": "Materials Synthesis", "type": "folder" }, "items": [ { "info": { "name": "Get SynthesisSearchResultModel documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/synthesis/", "params": [ { "name": "keywords", "value": "", "type": "query", "description": "Comma delimited string keywords to search synthesis paragraph text with." }, { "name": "synthesis_type", "value": "", "type": "query", "description": "Type of synthesis to include." }, { "name": "target_formula", "value": "", "type": "query", "description": "Chemical formula of the target material." }, { "name": "precursor_formula", "value": "", "type": "query", "description": "Chemical formula of the precursor material." }, { "name": "operations", "value": "", "type": "query", "description": "List of operations that syntheses must have." }, { "name": "condition_heating_temperature_min", "value": "", "type": "query", "description": "Minimal heating temperature." }, { "name": "condition_heating_temperature_max", "value": "", "type": "query", "description": "Maximal heating temperature." }, { "name": "condition_heating_time_min", "value": "", "type": "query", "description": "Minimal heating time." }, { "name": "condition_heating_time_max", "value": "", "type": "query", "description": "Maximal heating time." }, { "name": "condition_heating_atmosphere", "value": "", "type": "query", "description": "Required heating atmosphere, such as \"air\", \"argon\"." }, { "name": "condition_mixing_device", "value": "", "type": "query", "description": "Required mixing device, such as \"zirconia\", \"Al2O3\"." }, { "name": "condition_mixing_media", "value": "", "type": "query", "description": "Required mixing media, such as \"alcohol\", \"water\"." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search" }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 10." } ] }, "docs": "Get SynthesisSearchResultModel documents" } ] }, { "info": { "name": "Materials Electrodes", "type": "folder" }, "items": [ { "info": { "name": "Get InsertionElectrodeDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/insertion_electrodes/", "params": [ { "name": "battery_ids", "value": "", "type": "query", "description": "Comma-separated list of battery_id values to query on" }, { "name": "formula", "value": "", "type": "query", "description": "Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be provided." }, { "name": "chemsys", "value": "", "type": "query", "description": "A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries" }, { "name": "working_ion", "value": "", "type": "query" }, { "name": "elements", "value": "", "type": "query", "description": "Query by elements in the material composition as a comma-separated list" }, { "name": "exclude_elements", "value": "", "type": "query", "description": "Query by excluded elements in the material composition as a comma-separated list" }, { "name": "num_steps_max", "value": "", "type": "query", "description": "Query for maximum value of num_steps" }, { "name": "num_steps_min", "value": "", "type": "query", "description": "Query for minimum value of num_steps" }, { "name": "num_steps", "value": "", "type": "query", "description": "Query for num_steps being equal to an exact value" }, { "name": "num_steps_not_eq", "value": "", "type": "query", "description": "Query for num_steps being not equal to an exact value" }, { "name": "num_steps_eq_any", "value": "", "type": "query", "description": "Query for num_steps being any of these values. Provide a comma separated list." }, { "name": "num_steps_neq_any", "value": "", "type": "query", "description": "Query for num_steps being not any of these values. Provide a comma separated list." }, { "name": "max_voltage_step_max", "value": "", "type": "query", "description": "Query for maximum value of max_voltage_step" }, { "name": "max_voltage_step_min", "value": "", "type": "query", "description": "Query for minimum value of max_voltage_step" }, { "name": "nelements_max", "value": "", "type": "query", "description": "Query for maximum value of nelements" }, { "name": "nelements_min", "value": "", "type": "query", "description": "Query for minimum value of nelements" }, { "name": "nelements", "value": "", "type": "query", "description": "Query for nelements being equal to an exact value" }, { "name": "nelements_not_eq", "value": "", "type": "query", "description": "Query for nelements being not equal to an exact value" }, { "name": "nelements_eq_any", "value": "", "type": "query", "description": "Query for nelements being any of these values. Provide a comma separated list." }, { "name": "nelements_neq_any", "value": "", "type": "query", "description": "Query for nelements being not any of these values. Provide a comma separated list." }, { "name": "max_delta_volume_max", "value": "", "type": "query", "description": "Query for maximum value of max_delta_volume" }, { "name": "max_delta_volume_min", "value": "", "type": "query", "description": "Query for minimum value of max_delta_volume" }, { "name": "average_voltage_max", "value": "", "type": "query", "description": "Query for maximum value of average_voltage" }, { "name": "average_voltage_min", "value": "", "type": "query", "description": "Query for minimum value of average_voltage" }, { "name": "capacity_grav_max", "value": "", "type": "query", "description": "Query for maximum value of capacity_grav" }, { "name": "capacity_grav_min", "value": "", "type": "query", "description": "Query for minimum value of capacity_grav" }, { "name": "capacity_vol_max", "value": "", "type": "query", "description": "Query for maximum value of capacity_vol" }, { "name": "capacity_vol_min", "value": "", "type": "query", "description": "Query for minimum value of capacity_vol" }, { "name": "energy_grav_max", "value": "", "type": "query", "description": "Query for maximum value of energy_grav" }, { "name": "energy_grav_min", "value": "", "type": "query", "description": "Query for minimum value of energy_grav" }, { "name": "energy_vol_max", "value": "", "type": "query", "description": "Query for maximum value of energy_vol" }, { "name": "energy_vol_min", "value": "", "type": "query", "description": "Query for minimum value of energy_vol" }, { "name": "fracA_charge_max", "value": "", "type": "query", "description": "Query for maximum value of fracA_charge" }, { "name": "fracA_charge_min", "value": "", "type": "query", "description": "Query for minimum value of fracA_charge" }, { "name": "fracA_discharge_max", "value": "", "type": "query", "description": "Query for maximum value of fracA_discharge" }, { "name": "fracA_discharge_min", "value": "", "type": "query", "description": "Query for minimum value of fracA_discharge" }, { "name": "stability_charge_max", "value": "", "type": "query", "description": "Query for maximum value of stability_charge" }, { "name": "stability_charge_min", "value": "", "type": "query", "description": "Query for minimum value of stability_charge" }, { "name": "stability_discharge_max", "value": "", "type": "query", "description": "Query for maximum value of stability_discharge" }, { "name": "stability_discharge_min", "value": "", "type": "query", "description": "Query for minimum value of stability_discharge" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from InsertionElectrodeDoc as a list of comma separated strings. Fields include: `builder_meta` `battery_type` `battery_id` `thermo_type` `battery_formula` `working_ion` `num_steps` `max_voltage_step` `last_updated` `framework` `framework_formula` `elements` `nelements` `chemsys` `formula_anonymous` `warnings` `formula_charge` `formula_discharge` `max_delta_volume` `average_voltage` `capacity_grav` `capacity_vol` `energy_grav` `energy_vol` `fracA_charge` `fracA_discharge` `stability_charge` `stability_discharge` `id_charge` `id_discharge` `host_structure` `adj_pairs` `material_ids` `entries_composition_summary` `electrode_object`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." }, { "name": "_sort_fields", "value": "", "type": "query", "description": "Comma delimited fields to sort with. Prefixing '-' to a field will force a sort in descending order." } ] }, "docs": "Get InsertionElectrodeDoc documents" }, { "info": { "name": "Get ConversionElectrodeDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/conversion_electrodes/", "params": [ { "name": "battery_ids", "value": "", "type": "query", "description": "Comma-separated list of battery_id values to query on" }, { "name": "working_ion", "value": "", "type": "query" }, { "name": "num_steps_max", "value": "", "type": "query", "description": "Query for maximum value of num_steps" }, { "name": "num_steps_min", "value": "", "type": "query", "description": "Query for minimum value of num_steps" }, { "name": "num_steps", "value": "", "type": "query", "description": "Query for num_steps being equal to an exact value" }, { "name": "num_steps_not_eq", "value": "", "type": "query", "description": "Query for num_steps being not equal to an exact value" }, { "name": "num_steps_eq_any", "value": "", "type": "query", "description": "Query for num_steps being any of these values. Provide a comma separated list." }, { "name": "num_steps_neq_any", "value": "", "type": "query", "description": "Query for num_steps being not any of these values. Provide a comma separated list." }, { "name": "max_voltage_step_max", "value": "", "type": "query", "description": "Query for maximum value of max_voltage_step" }, { "name": "max_voltage_step_min", "value": "", "type": "query", "description": "Query for minimum value of max_voltage_step" }, { "name": "nelements_max", "value": "", "type": "query", "description": "Query for maximum value of nelements" }, { "name": "nelements_min", "value": "", "type": "query", "description": "Query for minimum value of nelements" }, { "name": "nelements", "value": "", "type": "query", "description": "Query for nelements being equal to an exact value" }, { "name": "nelements_not_eq", "value": "", "type": "query", "description": "Query for nelements being not equal to an exact value" }, { "name": "nelements_eq_any", "value": "", "type": "query", "description": "Query for nelements being any of these values. Provide a comma separated list." }, { "name": "nelements_neq_any", "value": "", "type": "query", "description": "Query for nelements being not any of these values. Provide a comma separated list." }, { "name": "max_delta_volume_max", "value": "", "type": "query", "description": "Query for maximum value of max_delta_volume" }, { "name": "max_delta_volume_min", "value": "", "type": "query", "description": "Query for minimum value of max_delta_volume" }, { "name": "average_voltage_max", "value": "", "type": "query", "description": "Query for maximum value of average_voltage" }, { "name": "average_voltage_min", "value": "", "type": "query", "description": "Query for minimum value of average_voltage" }, { "name": "capacity_grav_max", "value": "", "type": "query", "description": "Query for maximum value of capacity_grav" }, { "name": "capacity_grav_min", "value": "", "type": "query", "description": "Query for minimum value of capacity_grav" }, { "name": "capacity_vol_max", "value": "", "type": "query", "description": "Query for maximum value of capacity_vol" }, { "name": "capacity_vol_min", "value": "", "type": "query", "description": "Query for minimum value of capacity_vol" }, { "name": "energy_grav_max", "value": "", "type": "query", "description": "Query for maximum value of energy_grav" }, { "name": "energy_grav_min", "value": "", "type": "query", "description": "Query for minimum value of energy_grav" }, { "name": "energy_vol_max", "value": "", "type": "query", "description": "Query for maximum value of energy_vol" }, { "name": "energy_vol_min", "value": "", "type": "query", "description": "Query for minimum value of energy_vol" }, { "name": "fracA_charge_max", "value": "", "type": "query", "description": "Query for maximum value of fracA_charge" }, { "name": "fracA_charge_min", "value": "", "type": "query", "description": "Query for minimum value of fracA_charge" }, { "name": "fracA_discharge_max", "value": "", "type": "query", "description": "Query for maximum value of fracA_discharge" }, { "name": "fracA_discharge_min", "value": "", "type": "query", "description": "Query for minimum value of fracA_discharge" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from ConversionElectrodeDoc as a list of comma separated strings. Fields include: `builder_meta` `battery_type` `battery_id` `thermo_type` `battery_formula` `working_ion` `num_steps` `max_voltage_step` `last_updated` `framework` `framework_formula` `elements` `nelements` `chemsys` `formula_anonymous` `warnings` `formula_charge` `formula_discharge` `max_delta_volume` `average_voltage` `capacity_grav` `capacity_vol` `energy_grav` `energy_vol` `fracA_charge` `fracA_discharge` `reaction` `initial_comp_formula` `adj_pairs` `electrode_object`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get ConversionElectrodeDoc documents" } ] }, { "info": { "name": "Materials Oxidation States", "type": "folder" }, "items": [ { "info": { "name": "Get OxidationStateDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/oxidation_states/", "params": [ { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_id values to query on" }, { "name": "formula", "value": "", "type": "query", "description": "Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be provided." }, { "name": "chemsys", "value": "", "type": "query", "description": "A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries" }, { "name": "possible_species", "value": "", "type": "query", "description": "Comma delimited list of element symbols appended with oxidation states. (e.g. Cr2+,O2-)" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from OxidationStateDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `property_name` `possible_species` `possible_valences` `average_oxidation_states` `method`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." }, { "name": "license", "value": "", "type": "query", "description": "Query by license. Can be commercial or non-commercial, or both" } ] }, "docs": "Get OxidationStateDoc documents" } ] }, { "info": { "name": "Materials Alloys", "type": "folder" }, "items": [ { "info": { "name": "Get AlloyPairDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/alloys/", "params": [ { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_ids to query on" }, { "name": "formulae", "value": "", "type": "query", "description": "Comma-separated list of end-point formulas to query." }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from AlloyPairDoc as a list of comma separated strings. Fields include: `builder_meta` `alloy_pair` `pair_id`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get AlloyPairDoc documents" } ] }, { "info": { "name": "Materials Provenance", "type": "folder" }, "items": [ { "info": { "name": "Get ProvenanceDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/provenance/", "params": [ { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_id values to query on" }, { "name": "deprecated", "value": "", "type": "query", "description": "Whether the material is marked as deprecated" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from ProvenanceDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `property_name` `created_at` `references` `authors` `remarks` `tags` `theoretical` `database_IDs` `history`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get ProvenanceDoc documents" } ] }, { "info": { "name": "Materials Summary", "type": "folder" }, "items": [ { "info": { "name": "Get SummaryDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/materials/summary/", "params": [ { "name": "material_ids", "value": "", "type": "query", "description": "Comma-separated list of material_ids to query on" }, { "name": "formula", "value": "", "type": "query", "description": "Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be provided." }, { "name": "chemsys", "value": "", "type": "query", "description": "A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries" }, { "name": "elements", "value": "", "type": "query", "description": "Query by elements in the material composition as a comma-separated list" }, { "name": "exclude_elements", "value": "", "type": "query", "description": "Query by excluded elements in the material composition as a comma-separated list" }, { "name": "possible_species", "value": "", "type": "query", "description": "Comma delimited list of element symbols appended with oxidation states. (e.g. Cr2+,O2-)" }, { "name": "crystal_system", "value": "", "type": "query", "description": "Crystal system of the material. If a comma-separated string, will query by multiple crystal systems." }, { "name": "spacegroup_number", "value": "", "type": "query", "description": "Space group number of the material. If a comma-separated string, will query by multiple space group numbers." }, { "name": "spacegroup_symbol", "value": "", "type": "query", "description": "Space group symbol of the material. If a comma-separated string, will query by multiple space group numbers." }, { "name": "is_stable", "value": "", "type": "query", "description": "Whether the material is stable." }, { "name": "theoretical", "value": "", "type": "query", "description": "Whether the material is theoretical." }, { "name": "ordering", "value": "", "type": "query", "description": "Magnetic ordering of the material." }, { "name": "is_gap_direct", "value": "", "type": "query", "description": "Whether a band gap is direct or not." }, { "name": "is_metal", "value": "", "type": "query", "description": "Whether the material is considered a metal." }, { "name": "nsites_max", "value": "", "type": "query", "description": "Query for maximum value of nsites" }, { "name": "nsites_min", "value": "", "type": "query", "description": "Query for minimum value of nsites" }, { "name": "nsites", "value": "", "type": "query", "description": "Query for nsites being equal to an exact value" }, { "name": "nsites_not_eq", "value": "", "type": "query", "description": "Query for nsites being not equal to an exact value" }, { "name": "nsites_eq_any", "value": "", "type": "query", "description": "Query for nsites being any of these values. Provide a comma separated list." }, { "name": "nsites_neq_any", "value": "", "type": "query", "description": "Query for nsites being not any of these values. Provide a comma separated list." }, { "name": "nelements_max", "value": "", "type": "query", "description": "Query for maximum value of nelements" }, { "name": "nelements_min", "value": "", "type": "query", "description": "Query for minimum value of nelements" }, { "name": "nelements", "value": "", "type": "query", "description": "Query for nelements being equal to an exact value" }, { "name": "nelements_not_eq", "value": "", "type": "query", "description": "Query for nelements being not equal to an exact value" }, { "name": "nelements_eq_any", "value": "", "type": "query", "description": "Query for nelements being any of these values. Provide a comma separated list." }, { "name": "nelements_neq_any", "value": "", "type": "query", "description": "Query for nelements being not any of these values. Provide a comma separated list." }, { "name": "volume_max", "value": "", "type": "query", "description": "Query for maximum value of volume" }, { "name": "volume_min", "value": "", "type": "query", "description": "Query for minimum value of volume" }, { "name": "density_max", "value": "", "type": "query", "description": "Query for maximum value of density" }, { "name": "density_min", "value": "", "type": "query", "description": "Query for minimum value of density" }, { "name": "density_atomic_max", "value": "", "type": "query", "description": "Query for maximum value of density_atomic" }, { "name": "density_atomic_min", "value": "", "type": "query", "description": "Query for minimum value of density_atomic" }, { "name": "uncorrected_energy_per_atom_max", "value": "", "type": "query", "description": "Query for maximum value of uncorrected_energy_per_atom" }, { "name": "uncorrected_energy_per_atom_min", "value": "", "type": "query", "description": "Query for minimum value of uncorrected_energy_per_atom" }, { "name": "energy_per_atom_max", "value": "", "type": "query", "description": "Query for maximum value of energy_per_atom" }, { "name": "energy_per_atom_min", "value": "", "type": "query", "description": "Query for minimum value of energy_per_atom" }, { "name": "formation_energy_per_atom_max", "value": "", "type": "query", "description": "Query for maximum value of formation_energy_per_atom" }, { "name": "formation_energy_per_atom_min", "value": "", "type": "query", "description": "Query for minimum value of formation_energy_per_atom" }, { "name": "energy_above_hull_max", "value": "", "type": "query", "description": "Query for maximum value of energy_above_hull" }, { "name": "energy_above_hull_min", "value": "", "type": "query", "description": "Query for minimum value of energy_above_hull" }, { "name": "equilibrium_reaction_energy_per_atom_max", "value": "", "type": "query", "description": "Query for maximum value of equilibrium_reaction_energy_per_atom" }, { "name": "equilibrium_reaction_energy_per_atom_min", "value": "", "type": "query", "description": "Query for minimum value of equilibrium_reaction_energy_per_atom" }, { "name": "band_gap_max", "value": "", "type": "query", "description": "Query for maximum value of band_gap" }, { "name": "band_gap_min", "value": "", "type": "query", "description": "Query for minimum value of band_gap" }, { "name": "cbm_max", "value": "", "type": "query", "description": "Query for maximum value of cbm" }, { "name": "cbm_min", "value": "", "type": "query", "description": "Query for minimum value of cbm" }, { "name": "vbm_max", "value": "", "type": "query", "description": "Query for maximum value of vbm" }, { "name": "vbm_min", "value": "", "type": "query", "description": "Query for minimum value of vbm" }, { "name": "efermi_max", "value": "", "type": "query", "description": "Query for maximum value of efermi" }, { "name": "efermi_min", "value": "", "type": "query", "description": "Query for minimum value of efermi" }, { "name": "dos_energy_up_max", "value": "", "type": "query", "description": "Query for maximum value of dos_energy_up" }, { "name": "dos_energy_up_min", "value": "", "type": "query", "description": "Query for minimum value of dos_energy_up" }, { "name": "dos_energy_down_max", "value": "", "type": "query", "description": "Query for maximum value of dos_energy_down" }, { "name": "dos_energy_down_min", "value": "", "type": "query", "description": "Query for minimum value of dos_energy_down" }, { "name": "total_magnetization_max", "value": "", "type": "query", "description": "Query for maximum value of total_magnetization" }, { "name": "total_magnetization_min", "value": "", "type": "query", "description": "Query for minimum value of total_magnetization" }, { "name": "total_magnetization_normalized_vol_max", "value": "", "type": "query", "description": "Query for maximum value of total_magnetization_normalized_vol" }, { "name": "total_magnetization_normalized_vol_min", "value": "", "type": "query", "description": "Query for minimum value of total_magnetization_normalized_vol" }, { "name": "total_magnetization_normalized_formula_units_max", "value": "", "type": "query", "description": "Query for maximum value of total_magnetization_normalized_formula_units" }, { "name": "total_magnetization_normalized_formula_units_min", "value": "", "type": "query", "description": "Query for minimum value of total_magnetization_normalized_formula_units" }, { "name": "num_magnetic_sites_max", "value": "", "type": "query", "description": "Query for maximum value of num_magnetic_sites" }, { "name": "num_magnetic_sites_min", "value": "", "type": "query", "description": "Query for minimum value of num_magnetic_sites" }, { "name": "num_magnetic_sites", "value": "", "type": "query", "description": "Query for num_magnetic_sites being equal to an exact value" }, { "name": "num_magnetic_sites_not_eq", "value": "", "type": "query", "description": "Query for num_magnetic_sites being not equal to an exact value" }, { "name": "num_magnetic_sites_eq_any", "value": "", "type": "query", "description": "Query for num_magnetic_sites being any of these values. Provide a comma separated list." }, { "name": "num_magnetic_sites_neq_any", "value": "", "type": "query", "description": "Query for num_magnetic_sites being not any of these values. Provide a comma separated list." }, { "name": "num_unique_magnetic_sites_max", "value": "", "type": "query", "description": "Query for maximum value of num_unique_magnetic_sites" }, { "name": "num_unique_magnetic_sites_min", "value": "", "type": "query", "description": "Query for minimum value of num_unique_magnetic_sites" }, { "name": "num_unique_magnetic_sites", "value": "", "type": "query", "description": "Query for num_unique_magnetic_sites being equal to an exact value" }, { "name": "num_unique_magnetic_sites_not_eq", "value": "", "type": "query", "description": "Query for num_unique_magnetic_sites being not equal to an exact value" }, { "name": "num_unique_magnetic_sites_eq_any", "value": "", "type": "query", "description": "Query for num_unique_magnetic_sites being any of these values. Provide a comma separated list." }, { "name": "num_unique_magnetic_sites_neq_any", "value": "", "type": "query", "description": "Query for num_unique_magnetic_sites being not any of these values. Provide a comma separated list." }, { "name": "universal_anisotropy_max", "value": "", "type": "query", "description": "Query for maximum value of universal_anisotropy" }, { "name": "universal_anisotropy_min", "value": "", "type": "query", "description": "Query for minimum value of universal_anisotropy" }, { "name": "homogeneous_poisson_max", "value": "", "type": "query", "description": "Query for maximum value of homogeneous_poisson" }, { "name": "homogeneous_poisson_min", "value": "", "type": "query", "description": "Query for minimum value of homogeneous_poisson" }, { "name": "e_total_max", "value": "", "type": "query", "description": "Query for maximum value of e_total" }, { "name": "e_total_min", "value": "", "type": "query", "description": "Query for minimum value of e_total" }, { "name": "e_ionic_max", "value": "", "type": "query", "description": "Query for maximum value of e_ionic" }, { "name": "e_ionic_min", "value": "", "type": "query", "description": "Query for minimum value of e_ionic" }, { "name": "e_electronic_max", "value": "", "type": "query", "description": "Query for maximum value of e_electronic" }, { "name": "e_electronic_min", "value": "", "type": "query", "description": "Query for minimum value of e_electronic" }, { "name": "n_max", "value": "", "type": "query", "description": "Query for maximum value of n" }, { "name": "n_min", "value": "", "type": "query", "description": "Query for minimum value of n" }, { "name": "e_ij_max_max", "value": "", "type": "query", "description": "Query for maximum value of e_ij_max" }, { "name": "e_ij_max_min", "value": "", "type": "query", "description": "Query for minimum value of e_ij_max" }, { "name": "weighted_surface_energy_EV_PER_ANG2_max", "value": "", "type": "query", "description": "Query for maximum value of weighted_surface_energy_EV_PER_ANG2" }, { "name": "weighted_surface_energy_EV_PER_ANG2_min", "value": "", "type": "query", "description": "Query for minimum value of weighted_surface_energy_EV_PER_ANG2" }, { "name": "weighted_surface_energy_max", "value": "", "type": "query", "description": "Query for maximum value of weighted_surface_energy" }, { "name": "weighted_surface_energy_min", "value": "", "type": "query", "description": "Query for minimum value of weighted_surface_energy" }, { "name": "weighted_work_function_max", "value": "", "type": "query", "description": "Query for maximum value of weighted_work_function" }, { "name": "weighted_work_function_min", "value": "", "type": "query", "description": "Query for minimum value of weighted_work_function" }, { "name": "surface_anisotropy_max", "value": "", "type": "query", "description": "Query for maximum value of surface_anisotropy" }, { "name": "surface_anisotropy_min", "value": "", "type": "query", "description": "Query for minimum value of surface_anisotropy" }, { "name": "shape_factor_max", "value": "", "type": "query", "description": "Query for maximum value of shape_factor" }, { "name": "shape_factor_min", "value": "", "type": "query", "description": "Query for minimum value of shape_factor" }, { "name": "k_voigt_max", "value": "", "type": "query", "description": "Maximum value for the Voigt average of the bulk modulus in GPa." }, { "name": "k_voigt_min", "value": "", "type": "query", "description": "Minimum value for the Voigt average of the bulk modulus in GPa." }, { "name": "k_reuss_max", "value": "", "type": "query", "description": "Maximum value for the Reuss average of the bulk modulus in GPa." }, { "name": "k_reuss_min", "value": "", "type": "query", "description": "Minimum value for the Reuss average of the bulk modulus in GPa." }, { "name": "k_vrh_max", "value": "", "type": "query", "description": "Maximum value for the Voigt-Reuss-Hill average of the bulk modulus in GPa." }, { "name": "k_vrh_min", "value": "", "type": "query", "description": "Minimum value for the Voigt-Reuss-Hill average of the bulk modulus in GPa." }, { "name": "g_voigt_max", "value": "", "type": "query", "description": "Maximum value for the Voigt average of the shear modulus in GPa." }, { "name": "g_voigt_min", "value": "", "type": "query", "description": "Minimum value for the Voigt average of the shear modulus in GPa." }, { "name": "g_reuss_max", "value": "", "type": "query", "description": "Maximum value for the Reuss average of the shear modulus in GPa." }, { "name": "g_reuss_min", "value": "", "type": "query", "description": "Minimum value for the Reuss average of the shear modulus in GPa." }, { "name": "g_vrh_max", "value": "", "type": "query", "description": "Maximum value for the Voigt-Reuss-Hill average of the shear modulus in GPa." }, { "name": "g_vrh_min", "value": "", "type": "query", "description": "Minimum value for the Voigt-Reuss-Hill average of the shear modulus in GPa." }, { "name": "has_reconstructed", "value": "", "type": "query", "description": "Whether the material has reconstructed surfaces." }, { "name": "has_props", "value": "", "type": "query", "description": "Comma-delimited list of possible properties given by HasPropsEnum to search for." }, { "name": "deprecated", "value": "", "type": "query", "description": "Whether the material is marked as deprecated" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from SummaryDoc as a list of comma separated strings. Fields include: `builder_meta` `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `material_id` `deprecated` `deprecation_reasons` `last_updated` `origins` `warnings` `structure` `property_name` `task_ids` `uncorrected_energy_per_atom` `energy_per_atom` `formation_energy_per_atom` `energy_above_hull` `is_stable` `equilibrium_reaction_energy_per_atom` `decomposes_to` `xas` `grain_boundaries` `band_gap` `cbm` `vbm` `efermi` `is_gap_direct` `is_metal` `es_source_calc_id` `bandstructure` `dos` `dos_energy_up` `dos_energy_down` `is_magnetic` `ordering` `total_magnetization` `total_magnetization_normalized_vol` `total_magnetization_normalized_formula_units` `num_magnetic_sites` `num_unique_magnetic_sites` `types_of_magnetic_species` `bulk_modulus` `shear_modulus` `universal_anisotropy` `homogeneous_poisson` `e_total` `e_ionic` `e_electronic` `n` `e_ij_max` `weighted_surface_energy_EV_PER_ANG2` `weighted_surface_energy` `weighted_work_function` `surface_anisotropy` `shape_factor` `has_reconstructed` `possible_species` `has_props` `theoretical` `database_IDs`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." }, { "name": "license", "value": "", "type": "query", "description": "Query by license. Can be commercial or non-commercial, or both" }, { "name": "_sort_fields", "value": "", "type": "query", "description": "Comma delimited fields to sort with. Prefixing '-' to a field will force a sort in descending order." }, { "name": "batch_id", "value": "", "type": "query", "description": "Query by batch identifier" }, { "name": "batch_id_not_eq", "value": "", "type": "query", "description": "Exclude batch identifier" }, { "name": "batch_id_eq_any", "value": "", "type": "query", "description": "Query by a comma-separated list of batch identifiers" }, { "name": "batch_id_neq_any", "value": "", "type": "query", "description": "Exclude a comma-separated list of batch identifiers" } ] }, "docs": "Get SummaryDoc documents" } ] }, { "info": { "name": "Molecules Summary", "type": "folder" }, "items": [ { "info": { "name": "Get MoleculeSummaryDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/molecules/summary/", "params": [ { "name": "molecule_ids", "value": "", "type": "query", "description": "Comma-separated list of molecule_ids to query on" }, { "name": "formula", "value": "", "type": "query", "description": "Query by alphabetical formula. A comma delimited string list of alphabetical formulas can also be provided." }, { "name": "chemsys", "value": "", "type": "query", "description": "A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries" }, { "name": "elements", "value": "", "type": "query", "description": "Query by elements in the material composition as a comma-separated list" }, { "name": "exclude_elements", "value": "", "type": "query", "description": "Query by excluded elements in the material composition as a comma-separated list" }, { "name": "has_props", "value": "", "type": "query", "description": "Comma-delimited list of possible properties given by HasPropsEnum to search for." }, { "name": "charge", "value": "", "type": "query", "description": "Query by molecular charge" }, { "name": "spin_multiplicity", "value": "", "type": "query", "description": "Query by molecular spin multiplicity." }, { "name": "inchi", "value": "", "type": "query", "description": "International chemical identifier (InChI) string for this molecule" }, { "name": "inchi_key", "value": "", "type": "query", "description": "Hash of the InChI, also known as the InChI-key" }, { "name": "species_hash", "value": "", "type": "query", "description": "Graph hash augmented with node species" }, { "name": "coord_hash", "value": "", "type": "query", "description": "Graph hash augmented with node XYZ coordinates" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "nelements_max", "value": "", "type": "query", "description": "Query for maximum value of nelements" }, { "name": "nelements_min", "value": "", "type": "query", "description": "Query for minimum value of nelements" }, { "name": "nelements", "value": "", "type": "query", "description": "Query for nelements being equal to an exact value" }, { "name": "nelements_not_eq", "value": "", "type": "query", "description": "Query for nelements being not equal to an exact value" }, { "name": "nelements_eq_any", "value": "", "type": "query", "description": "Query for nelements being any of these values. Provide a comma separated list." }, { "name": "nelements_neq_any", "value": "", "type": "query", "description": "Query for nelements being not any of these values. Provide a comma separated list." }, { "name": "_sort_fields", "value": "", "type": "query", "description": "Comma delimited fields to sort with. Prefixing '-' to a field will force a sort in descending order." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from MoleculeSummaryDoc as a list of comma separated strings. Fields include: `charge` `spin_multiplicity` `natoms` `elements` `nelements` `nelectrons` `composition` `composition_reduced` `formula_alphabetical` `formula_pretty` `formula_anonymous` `chemsys` `symmetry` `species_hash` `coord_hash` `property_name` `property_id` `molecule_id` `deprecated` `deprecation_reasons` `level_of_theory` `solvent` `lot_solvent` `last_updated` `origins` `warnings` `molecules` `molecule_levels_of_theory` `inchi` `inchi_key` `task_ids` `similar_molecules` `constituent_molecules` `unique_calc_types` `unique_task_types` `unique_levels_of_theory` `unique_solvents` `unique_lot_solvents` `thermo` `vibration` `orbitals` `partial_charges` `partial_spins` `bonding` `multipole_moments` `redox` `metal_binding` `has_props`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get MoleculeSummaryDoc documents" } ] }, { "info": { "name": "JCESR Electrolyte Genome", "type": "folder" }, "items": [ { "info": { "name": "Get MoleculesDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/molecules/jcesr/", "params": [ { "name": "nelements_max", "value": "", "type": "query", "description": "Maximum value for the number of elements." }, { "name": "nelements_min", "value": "", "type": "query", "description": "Minimum value for the number of elements." }, { "name": "EA_max", "value": "", "type": "query", "description": "Maximum value for the electron affinity in eV." }, { "name": "EA_min", "value": "", "type": "query", "description": "Minimum value for the electron affinity in eV." }, { "name": "IE_max", "value": "", "type": "query", "description": "Maximum value for the ionization energy in eV." }, { "name": "IE_min", "value": "", "type": "query", "description": "Minimum value for the ionization energy in eV." }, { "name": "charge_max", "value": "", "type": "query", "description": "Maximum value for the charge in +e." }, { "name": "charge_min", "value": "", "type": "query", "description": "Minimum value for the charge in +e." }, { "name": "pointgroup", "value": "", "type": "query", "description": "Point of the molecule in Schoenflies notation." }, { "name": "smiles", "value": "", "type": "query", "description": "The simplified molecular input line-entry system (SMILES) representation of the molecule." }, { "name": "elements", "value": "", "type": "query", "description": "Query by elements in the material composition as a comma-separated list" }, { "name": "formula", "value": "", "type": "query", "description": "Chemical formula of the molecule. A comma-separated list of formulas is also accepted." }, { "name": "task_ids", "value": "", "type": "query", "description": "Comma-separated list of task_ids to query on" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_sort_fields", "value": "", "type": "query", "description": "Comma delimited fields to sort with. Prefixing '-' to a field will force a sort in descending order." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from MoleculesDoc as a list of comma separated strings. Fields include: `elements` `nelements` `EA` `IE` `charge` `pointgroup` `smiles` `task_id` `molecule` `formula_pretty` `svg`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get MoleculesDoc documents" } ] }, { "info": { "name": "Defect Tasks", "type": "folder" }, "items": [ { "info": { "name": "Get DefectTaskDoc documents", "type": "http" }, "http": { "method": "GET", "url": "{{baseUrl}}/defects/tasks/", "params": [ { "name": "formula", "value": "", "type": "query", "description": "Query by formula including anonymized formula or by including wild cards. A comma delimited string list of anonymous formulas or regular formulas can also be provided." }, { "name": "chemsys", "value": "", "type": "query", "description": "A comma delimited string list of chemical systems. Wildcards for unknown elements only supported for single chemsys queries" }, { "name": "elements", "value": "", "type": "query", "description": "Query by elements in the material composition as a comma-separated list" }, { "name": "exclude_elements", "value": "", "type": "query", "description": "Query by excluded elements in the material composition as a comma-separated list" }, { "name": "task_ids", "value": "", "type": "query", "description": "Comma-separated list of task_ids to query on" }, { "name": "last_updated_min", "value": "", "type": "query", "description": "Minimum last updated UTC datetime" }, { "name": "last_updated_max", "value": "", "type": "query", "description": "Maximum last updated UTC datetime" }, { "name": "_page", "value": "", "type": "query", "description": "Page number to request (takes precedent over _limit and _skip)." }, { "name": "_per_page", "value": "", "type": "query", "description": "Number of entries to show per page (takes precedent over _limit and _skip). Limited to 1000." }, { "name": "_skip", "value": "", "type": "query", "description": "Number of entries to skip in the search." }, { "name": "_limit", "value": "", "type": "query", "description": "Max number of entries to return in a single query. Limited to 1000." }, { "name": "_fields", "value": "", "type": "query", "description": "Fields to project from DefectTaskDoc as a list of comma separated strings. Fields include: `nsites` `elements` `nelements` `composition` `composition_reduced` `formula_pretty` `formula_anonymous` `chemsys` `volume` `density` `density_atomic` `symmetry` `batch_id` `calc_type` `completed_at` `dir_name` `icsd_id` `input` `last_updated` `orig_inputs` `output` `run_type` `structure` `tags` `task_id` `task_type` `transformations` `vasp_objects` `vasp_version` `additional_json` `analysis` `author` `calcs_reversed` `custodian` `entry` `included_objects` `run_stats` `state` `task_label` `defect_name` `bulk_formula` `defect` `charge_state` `supercell_matrix`" }, { "name": "_all_fields", "value": "", "type": "query", "description": "Include all fields." } ] }, "docs": "Get DefectTaskDoc documents" } ] } ], "bundled": true }