{ "opencollection": "1.0.0", "info": { "name": "Project Defect Tasks Materials API", "version": "0.86.4rc5.dev1+g77c2c1315" }, "request": { "auth": { "type": "apikey", "key": "X-API-KEY", "value": "{{X-API-KEY}}", "placement": "header" } }, "items": [ { "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" } ] } ], "bundled": true }