@mat3ra/esse 2025.10.8-0 → 2025.11.7-0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/dist/js/example/apse/db/materials_project/2025.9.25/summary.json +1172 -0
- package/dist/js/example/apse/db/materials_project/legacy/material.json +234 -0
- package/dist/js/schema/apse/db/materials_project/2025.9.25/summary.json +2803 -0
- package/dist/js/schema/apse/db/materials_project/legacy/material.json +297 -0
- package/dist/js/schema/apse/db/third_party_sources.json +20 -0
- package/dist/js/schema/material.json +9 -3
- package/dist/js/schema/materials_category/compound_pristine_structures/two_dimensional/interface/configuration.json +81 -27
- package/dist/js/schema/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.json +81 -27
- package/dist/js/schema/materials_category/defective_structures/two_dimensional/adatom/configuration.json +36 -12
- package/dist/js/schema/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.json +81 -27
- package/dist/js/schema/materials_category/defective_structures/two_dimensional/island/configuration.json +54 -18
- package/dist/js/schema/materials_category/defective_structures/two_dimensional/terrace/configuration.json +54 -18
- package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/base_configuration.json +9 -3
- package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/interstitial.json +18 -6
- package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/substitutional.json +18 -6
- package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/vacancy.json +9 -3
- package/dist/js/schema/materials_category/pristine_structures/three_dimensional/ideal_crystal.json +9 -3
- package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanoribbon.json +27 -9
- package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanotape.json +18 -6
- package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab.json +18 -6
- package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.json +18 -6
- package/dist/js/schema/materials_category/processed_structures/two_dimensional/passivation/configuration.json +18 -6
- package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/crystal_site.json +9 -3
- package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/point_defect_site.json +9 -3
- package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/void_region.json +9 -3
- package/dist/js/schema/materials_category_components/entities/core/three_dimensional/crystal.json +9 -3
- package/dist/js/schema/materials_category_components/entities/core/two_dimensional/vacuum.json +9 -3
- package/dist/js/schema/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines.json +9 -3
- package/dist/js/schema/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines_unique_repeated.json +9 -3
- package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/crystal_lattice_base.json +9 -3
- package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_non_uniform.json +9 -3
- package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_uniform.json +9 -3
- package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/supercell.json +9 -3
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers.json +9 -3
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique.json +9 -3
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique_repeated.json +9 -3
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/crystal_lattice_planes.json +9 -3
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.json +27 -9
- package/dist/js/schema/materials_category_components/operations/core/modifications/perturb.json +9 -3
- package/dist/js/schemas.json +1 -1
- package/dist/js/types.d.ts +1372 -100
- package/dist/js/types.js +1 -1
- package/example/apse/db/materials_project/2025.9.25/summary.json +1172 -0
- package/example/apse/db/materials_project/legacy/material.json +234 -0
- package/package.json +1 -1
- package/schema/apse/db/materials_project/2025.9.25/summary.json +1265 -0
- package/schema/apse/db/materials_project/legacy/material.json +297 -0
- package/schema/apse/db/third_party_sources.json +20 -0
- package/schema/material.json +8 -2
package/dist/js/types.d.ts
CHANGED
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@@ -1,3 +1,1271 @@
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/** Schema dist/js/schema/apse/db/materials_project/2025.9.25/summary.json */
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/**
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* JSON schema for Materials Project API summary endpoint response
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*/
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export interface MaterialsProjectSchema {
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builder_meta: {
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/**
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* Version of emmet library used
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*/
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emmet_version: string;
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/**
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* Version of pymatgen library used
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*/
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pymatgen_version: string;
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/**
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* Unique identifier for the calculation run
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*/
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run_id: string;
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/**
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* Batch identifier for grouped calculations
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*/
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batch_id?: string | null;
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/**
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* Version of the Materials Project database
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*/
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database_version: string;
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/**
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* Date when the calculation was performed
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*/
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build_date: string;
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/**
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* License information for the data
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*/
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license: string;
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};
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/**
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* Number of sites in the structure
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*/
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nsites: number;
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/**
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* List of chemical elements in the material
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*/
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elements: string[];
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/**
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* Number of unique elements
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*/
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nelements: number;
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/**
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* Chemical composition as element: count mapping
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*/
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composition: {
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[k: string]: number;
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};
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/**
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* Reduced chemical composition
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*/
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composition_reduced: {
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[k: string]: number;
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};
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/**
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* Human-readable chemical formula
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*/
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formula_pretty: string;
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/**
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* Anonymous chemical formula
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*/
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formula_anonymous: string;
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/**
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* Chemical system identifier
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*/
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chemsys: string;
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/**
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* Unit cell volume in cubic Angstroms
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*/
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volume: number;
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/**
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* Material density in g/cm³
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*/
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density: number;
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/**
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* Atomic density
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*/
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density_atomic: number;
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symmetry: {
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/**
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* Crystal system classification
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*/
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crystal_system: string;
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/**
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* Space group symbol
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*/
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symbol: string;
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/**
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* Hall symbol
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*/
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hall?: string | null;
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/**
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* Space group number
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*/
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number: number;
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/**
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* Point group symbol
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*/
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point_group: string;
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/**
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* Symmetry precision tolerance
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*/
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symprec: number;
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/**
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* Angle tolerance for symmetry analysis
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*/
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angle_tolerance: number;
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/**
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* Version of symmetry analysis software
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*/
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version: string;
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};
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/**
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* Unique Materials Project identifier
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*/
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material_id: string;
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/**
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* Whether this material entry is deprecated
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*/
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deprecated: boolean;
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/**
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* Reasons for deprecation if applicable
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*/
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deprecation_reasons?: string[] | null;
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/**
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* Last update timestamp
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*/
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last_updated: string;
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origins: {
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/**
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* Origin name (e.g., structure, energy, magnetism)
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*/
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name: string;
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/**
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* Task identifier for this origin
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*/
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task_id: string;
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/**
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* Last update for this origin
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*/
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last_updated: string;
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}[];
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/**
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* Warning messages
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*/
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warnings: string[];
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structure: {
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/**
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* Python module name
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*/
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"@module": string;
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/**
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* Python class name
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*/
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"@class": string;
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/**
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* Total charge of the structure
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*/
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charge: number;
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lattice: {
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/**
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* Lattice matrix
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*
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* @minItems 3
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* @maxItems 3
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*/
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matrix: [[number, number, number], [number, number, number], [number, number, number]];
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/**
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* Periodic boundary conditions
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*
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* @minItems 3
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* @maxItems 3
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*/
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pbc: [boolean, boolean, boolean];
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/**
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* Lattice parameter a
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*/
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a: number;
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/**
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* Lattice parameter b
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*/
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b: number;
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/**
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* Lattice parameter c
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*/
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c: number;
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/**
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* Lattice angle alpha
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*/
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alpha: number;
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/**
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* Lattice angle beta
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*/
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beta: number;
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/**
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* Lattice angle gamma
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*/
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gamma: number;
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/**
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* Unit cell volume
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*/
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volume: number;
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};
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/**
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* Additional structure properties
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*/
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properties: {};
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sites: {
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species: {
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/**
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* Chemical element
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*/
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element: string;
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/**
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* Occupancy
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*/
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occu: number;
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}[];
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/**
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* Fractional coordinates
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*
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* @minItems 3
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* @maxItems 3
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*/
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abc: [number, number, number];
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properties?: {
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/**
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* Magnetic moment
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*/
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magmom?: number;
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};
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/**
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* Site label
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*/
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label: string;
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/**
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* Cartesian coordinates
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*
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* @minItems 3
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* @maxItems 3
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*/
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xyz: [number, number, number];
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}[];
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};
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/**
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* Name of the property endpoint
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*/
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property_name: string;
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/**
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* List of task identifiers
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*/
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task_ids: string[];
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/**
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* Uncorrected energy per atom in eV
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*/
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uncorrected_energy_per_atom: number;
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/**
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* Energy per atom in eV
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*/
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energy_per_atom: number;
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/**
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* Formation energy per atom in eV
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*/
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formation_energy_per_atom: number;
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/**
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* Energy above convex hull in eV
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*/
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energy_above_hull: number;
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/**
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* Whether the material is thermodynamically stable
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*/
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is_stable: boolean;
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/**
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* Equilibrium reaction energy per atom in eV
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*/
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equilibrium_reaction_energy_per_atom?: number | null;
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decomposes_to: {
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/**
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* Material ID of decomposition product
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*/
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material_id: string;
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/**
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* Formula of decomposition product
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*/
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formula: string;
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/**
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* Amount of decomposition product
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*/
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amount: number;
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}[] | null;
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xas: {
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/**
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* XAS edge type (K, L, M, etc.)
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*/
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edge: string;
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/**
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* Element for XAS absorption
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*/
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absorbing_element: string;
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/**
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* Type of XAS spectrum (XANES, EXAFS, XAFS)
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*/
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spectrum_type: string;
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}[] | null;
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/**
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* Grain boundary information
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*/
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grain_boundaries?: {} | null;
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/**
|
|
315
|
+
* Band gap in eV
|
|
316
|
+
*/
|
|
317
|
+
band_gap: number;
|
|
318
|
+
/**
|
|
319
|
+
* Conduction band minimum in eV
|
|
320
|
+
*/
|
|
321
|
+
cbm: number | null;
|
|
322
|
+
/**
|
|
323
|
+
* Valence band maximum in eV
|
|
324
|
+
*/
|
|
325
|
+
vbm: number | null;
|
|
326
|
+
/**
|
|
327
|
+
* Fermi energy in eV
|
|
328
|
+
*/
|
|
329
|
+
efermi: number | null;
|
|
330
|
+
/**
|
|
331
|
+
* Whether the band gap is direct
|
|
332
|
+
*/
|
|
333
|
+
is_gap_direct: boolean;
|
|
334
|
+
/**
|
|
335
|
+
* Whether the material is metallic
|
|
336
|
+
*/
|
|
337
|
+
is_metal: boolean;
|
|
338
|
+
/**
|
|
339
|
+
* Source calculation ID for electronic structure
|
|
340
|
+
*/
|
|
341
|
+
es_source_calc_id?: string | null;
|
|
342
|
+
bandstructure: {
|
|
343
|
+
setyawan_curtarolo?: {
|
|
344
|
+
task_id: string;
|
|
345
|
+
band_gap: number;
|
|
346
|
+
cbm: {
|
|
347
|
+
band_index: {
|
|
348
|
+
[k: string]: number[];
|
|
349
|
+
};
|
|
350
|
+
kpoint_index: number[];
|
|
351
|
+
kpoint: {
|
|
352
|
+
lattice: {
|
|
353
|
+
"@module": string;
|
|
354
|
+
"@class": string;
|
|
355
|
+
/**
|
|
356
|
+
* @minItems 3
|
|
357
|
+
* @maxItems 3
|
|
358
|
+
*/
|
|
359
|
+
matrix: [[number, number, number], [number, number, number], [number, number, number]];
|
|
360
|
+
/**
|
|
361
|
+
* @minItems 3
|
|
362
|
+
* @maxItems 3
|
|
363
|
+
*/
|
|
364
|
+
pbc: [boolean, boolean, boolean];
|
|
365
|
+
};
|
|
366
|
+
/**
|
|
367
|
+
* @minItems 3
|
|
368
|
+
* @maxItems 3
|
|
369
|
+
*/
|
|
370
|
+
fcoords: [number, number, number];
|
|
371
|
+
/**
|
|
372
|
+
* @minItems 3
|
|
373
|
+
* @maxItems 3
|
|
374
|
+
*/
|
|
375
|
+
ccoords: [number, number, number];
|
|
376
|
+
label: string | null;
|
|
377
|
+
"@module": string;
|
|
378
|
+
"@class": string;
|
|
379
|
+
};
|
|
380
|
+
energy: number;
|
|
381
|
+
projections: {
|
|
382
|
+
[k: string]: number[][];
|
|
383
|
+
};
|
|
384
|
+
} | null;
|
|
385
|
+
vbm: {
|
|
386
|
+
band_index: {
|
|
387
|
+
[k: string]: number[];
|
|
388
|
+
};
|
|
389
|
+
kpoint_index: number[];
|
|
390
|
+
kpoint: {
|
|
391
|
+
lattice: {
|
|
392
|
+
"@module": string;
|
|
393
|
+
"@class": string;
|
|
394
|
+
/**
|
|
395
|
+
* @minItems 3
|
|
396
|
+
* @maxItems 3
|
|
397
|
+
*/
|
|
398
|
+
matrix: [[number, number, number], [number, number, number], [number, number, number]];
|
|
399
|
+
/**
|
|
400
|
+
* @minItems 3
|
|
401
|
+
* @maxItems 3
|
|
402
|
+
*/
|
|
403
|
+
pbc: [boolean, boolean, boolean];
|
|
404
|
+
};
|
|
405
|
+
/**
|
|
406
|
+
* @minItems 3
|
|
407
|
+
* @maxItems 3
|
|
408
|
+
*/
|
|
409
|
+
fcoords: [number, number, number];
|
|
410
|
+
/**
|
|
411
|
+
* @minItems 3
|
|
412
|
+
* @maxItems 3
|
|
413
|
+
*/
|
|
414
|
+
ccoords: [number, number, number];
|
|
415
|
+
label: string | null;
|
|
416
|
+
"@module": string;
|
|
417
|
+
"@class": string;
|
|
418
|
+
};
|
|
419
|
+
energy: number;
|
|
420
|
+
projections: {
|
|
421
|
+
[k: string]: number[][];
|
|
422
|
+
};
|
|
423
|
+
} | null;
|
|
424
|
+
efermi: number | null;
|
|
425
|
+
is_gap_direct: boolean;
|
|
426
|
+
is_metal: boolean;
|
|
427
|
+
magnetic_ordering: string;
|
|
428
|
+
equivalent_labels: {
|
|
429
|
+
[k: string]: {
|
|
430
|
+
[k: string]: {
|
|
431
|
+
[k: string]: string;
|
|
432
|
+
};
|
|
433
|
+
};
|
|
434
|
+
};
|
|
435
|
+
nbands: number;
|
|
436
|
+
direct_gap: number;
|
|
437
|
+
} | null;
|
|
438
|
+
hinuma?: {
|
|
439
|
+
task_id: string;
|
|
440
|
+
band_gap: number;
|
|
441
|
+
cbm: {
|
|
442
|
+
band_index: {
|
|
443
|
+
[k: string]: number[];
|
|
444
|
+
};
|
|
445
|
+
kpoint_index: number[];
|
|
446
|
+
kpoint: {
|
|
447
|
+
lattice: {
|
|
448
|
+
"@module": string;
|
|
449
|
+
"@class": string;
|
|
450
|
+
/**
|
|
451
|
+
* @minItems 3
|
|
452
|
+
* @maxItems 3
|
|
453
|
+
*/
|
|
454
|
+
matrix: [[number, number, number], [number, number, number], [number, number, number]];
|
|
455
|
+
/**
|
|
456
|
+
* @minItems 3
|
|
457
|
+
* @maxItems 3
|
|
458
|
+
*/
|
|
459
|
+
pbc: [boolean, boolean, boolean];
|
|
460
|
+
};
|
|
461
|
+
/**
|
|
462
|
+
* @minItems 3
|
|
463
|
+
* @maxItems 3
|
|
464
|
+
*/
|
|
465
|
+
fcoords: [number, number, number];
|
|
466
|
+
/**
|
|
467
|
+
* @minItems 3
|
|
468
|
+
* @maxItems 3
|
|
469
|
+
*/
|
|
470
|
+
ccoords: [number, number, number];
|
|
471
|
+
label: string | null;
|
|
472
|
+
"@module": string;
|
|
473
|
+
"@class": string;
|
|
474
|
+
};
|
|
475
|
+
energy: number;
|
|
476
|
+
projections: {
|
|
477
|
+
[k: string]: number[][];
|
|
478
|
+
};
|
|
479
|
+
} | null;
|
|
480
|
+
vbm: {
|
|
481
|
+
band_index: {
|
|
482
|
+
[k: string]: number[];
|
|
483
|
+
};
|
|
484
|
+
kpoint_index: number[];
|
|
485
|
+
kpoint: {
|
|
486
|
+
lattice: {
|
|
487
|
+
"@module": string;
|
|
488
|
+
"@class": string;
|
|
489
|
+
/**
|
|
490
|
+
* @minItems 3
|
|
491
|
+
* @maxItems 3
|
|
492
|
+
*/
|
|
493
|
+
matrix: [[number, number, number], [number, number, number], [number, number, number]];
|
|
494
|
+
/**
|
|
495
|
+
* @minItems 3
|
|
496
|
+
* @maxItems 3
|
|
497
|
+
*/
|
|
498
|
+
pbc: [boolean, boolean, boolean];
|
|
499
|
+
};
|
|
500
|
+
/**
|
|
501
|
+
* @minItems 3
|
|
502
|
+
* @maxItems 3
|
|
503
|
+
*/
|
|
504
|
+
fcoords: [number, number, number];
|
|
505
|
+
/**
|
|
506
|
+
* @minItems 3
|
|
507
|
+
* @maxItems 3
|
|
508
|
+
*/
|
|
509
|
+
ccoords: [number, number, number];
|
|
510
|
+
label: string | null;
|
|
511
|
+
"@module": string;
|
|
512
|
+
"@class": string;
|
|
513
|
+
};
|
|
514
|
+
energy: number;
|
|
515
|
+
projections: {
|
|
516
|
+
[k: string]: number[][];
|
|
517
|
+
};
|
|
518
|
+
} | null;
|
|
519
|
+
efermi: number | null;
|
|
520
|
+
is_gap_direct: boolean;
|
|
521
|
+
is_metal: boolean;
|
|
522
|
+
magnetic_ordering: string;
|
|
523
|
+
equivalent_labels: {
|
|
524
|
+
[k: string]: {
|
|
525
|
+
[k: string]: {
|
|
526
|
+
[k: string]: string;
|
|
527
|
+
};
|
|
528
|
+
};
|
|
529
|
+
};
|
|
530
|
+
nbands: number;
|
|
531
|
+
direct_gap: number;
|
|
532
|
+
} | null;
|
|
533
|
+
latimer_munro?: {
|
|
534
|
+
task_id: string;
|
|
535
|
+
band_gap: number;
|
|
536
|
+
cbm: {
|
|
537
|
+
band_index: {
|
|
538
|
+
[k: string]: number[];
|
|
539
|
+
};
|
|
540
|
+
kpoint_index: number[];
|
|
541
|
+
kpoint: {
|
|
542
|
+
lattice: {
|
|
543
|
+
"@module": string;
|
|
544
|
+
"@class": string;
|
|
545
|
+
/**
|
|
546
|
+
* @minItems 3
|
|
547
|
+
* @maxItems 3
|
|
548
|
+
*/
|
|
549
|
+
matrix: [[number, number, number], [number, number, number], [number, number, number]];
|
|
550
|
+
/**
|
|
551
|
+
* @minItems 3
|
|
552
|
+
* @maxItems 3
|
|
553
|
+
*/
|
|
554
|
+
pbc: [boolean, boolean, boolean];
|
|
555
|
+
};
|
|
556
|
+
/**
|
|
557
|
+
* @minItems 3
|
|
558
|
+
* @maxItems 3
|
|
559
|
+
*/
|
|
560
|
+
fcoords: [number, number, number];
|
|
561
|
+
/**
|
|
562
|
+
* @minItems 3
|
|
563
|
+
* @maxItems 3
|
|
564
|
+
*/
|
|
565
|
+
ccoords: [number, number, number];
|
|
566
|
+
label: string | null;
|
|
567
|
+
"@module": string;
|
|
568
|
+
"@class": string;
|
|
569
|
+
};
|
|
570
|
+
energy: number;
|
|
571
|
+
projections: {
|
|
572
|
+
[k: string]: number[][];
|
|
573
|
+
};
|
|
574
|
+
} | null;
|
|
575
|
+
vbm: {
|
|
576
|
+
band_index: {
|
|
577
|
+
[k: string]: number[];
|
|
578
|
+
};
|
|
579
|
+
kpoint_index: number[];
|
|
580
|
+
kpoint: {
|
|
581
|
+
lattice: {
|
|
582
|
+
"@module": string;
|
|
583
|
+
"@class": string;
|
|
584
|
+
/**
|
|
585
|
+
* @minItems 3
|
|
586
|
+
* @maxItems 3
|
|
587
|
+
*/
|
|
588
|
+
matrix: [[number, number, number], [number, number, number], [number, number, number]];
|
|
589
|
+
/**
|
|
590
|
+
* @minItems 3
|
|
591
|
+
* @maxItems 3
|
|
592
|
+
*/
|
|
593
|
+
pbc: [boolean, boolean, boolean];
|
|
594
|
+
};
|
|
595
|
+
/**
|
|
596
|
+
* @minItems 3
|
|
597
|
+
* @maxItems 3
|
|
598
|
+
*/
|
|
599
|
+
fcoords: [number, number, number];
|
|
600
|
+
/**
|
|
601
|
+
* @minItems 3
|
|
602
|
+
* @maxItems 3
|
|
603
|
+
*/
|
|
604
|
+
ccoords: [number, number, number];
|
|
605
|
+
label: string | null;
|
|
606
|
+
"@module": string;
|
|
607
|
+
"@class": string;
|
|
608
|
+
};
|
|
609
|
+
energy: number;
|
|
610
|
+
projections: {
|
|
611
|
+
[k: string]: number[][];
|
|
612
|
+
};
|
|
613
|
+
} | null;
|
|
614
|
+
efermi: number | null;
|
|
615
|
+
is_gap_direct: boolean;
|
|
616
|
+
is_metal: boolean;
|
|
617
|
+
magnetic_ordering: string;
|
|
618
|
+
equivalent_labels: {
|
|
619
|
+
[k: string]: {
|
|
620
|
+
[k: string]: {
|
|
621
|
+
[k: string]: string;
|
|
622
|
+
};
|
|
623
|
+
};
|
|
624
|
+
};
|
|
625
|
+
nbands: number;
|
|
626
|
+
direct_gap: number;
|
|
627
|
+
} | null;
|
|
628
|
+
} | null;
|
|
629
|
+
dos: {
|
|
630
|
+
total?: {
|
|
631
|
+
[k: string]: {
|
|
632
|
+
task_id: string;
|
|
633
|
+
band_gap: number;
|
|
634
|
+
cbm: number | null;
|
|
635
|
+
vbm: number | null;
|
|
636
|
+
efermi: number;
|
|
637
|
+
spin_polarization: number | null;
|
|
638
|
+
};
|
|
639
|
+
};
|
|
640
|
+
elemental?: {
|
|
641
|
+
[k: string]: {
|
|
642
|
+
total?: {
|
|
643
|
+
[k: string]: {
|
|
644
|
+
task_id: string;
|
|
645
|
+
band_gap: number;
|
|
646
|
+
cbm: number | null;
|
|
647
|
+
vbm: number | null;
|
|
648
|
+
efermi: number;
|
|
649
|
+
spin_polarization: number | null;
|
|
650
|
+
};
|
|
651
|
+
};
|
|
652
|
+
s?: {
|
|
653
|
+
[k: string]: {
|
|
654
|
+
task_id: string;
|
|
655
|
+
band_gap: number;
|
|
656
|
+
cbm: number | null;
|
|
657
|
+
vbm: number | null;
|
|
658
|
+
efermi: number;
|
|
659
|
+
spin_polarization: number | null;
|
|
660
|
+
};
|
|
661
|
+
};
|
|
662
|
+
p?: {
|
|
663
|
+
[k: string]: {
|
|
664
|
+
task_id: string;
|
|
665
|
+
band_gap: number;
|
|
666
|
+
cbm: number | null;
|
|
667
|
+
vbm: number | null;
|
|
668
|
+
efermi: number;
|
|
669
|
+
spin_polarization: number | null;
|
|
670
|
+
};
|
|
671
|
+
};
|
|
672
|
+
d?: {
|
|
673
|
+
[k: string]: {
|
|
674
|
+
task_id: string;
|
|
675
|
+
band_gap: number;
|
|
676
|
+
cbm: number | null;
|
|
677
|
+
vbm: number | null;
|
|
678
|
+
efermi: number;
|
|
679
|
+
spin_polarization: number | null;
|
|
680
|
+
};
|
|
681
|
+
};
|
|
682
|
+
};
|
|
683
|
+
};
|
|
684
|
+
orbital?: {
|
|
685
|
+
s?: {
|
|
686
|
+
[k: string]: {
|
|
687
|
+
task_id: string;
|
|
688
|
+
band_gap: number;
|
|
689
|
+
cbm: number | null;
|
|
690
|
+
vbm: number | null;
|
|
691
|
+
efermi: number;
|
|
692
|
+
spin_polarization: number | null;
|
|
693
|
+
};
|
|
694
|
+
};
|
|
695
|
+
p?: {
|
|
696
|
+
[k: string]: {
|
|
697
|
+
task_id: string;
|
|
698
|
+
band_gap: number;
|
|
699
|
+
cbm: number | null;
|
|
700
|
+
vbm: number | null;
|
|
701
|
+
efermi: number;
|
|
702
|
+
spin_polarization: number | null;
|
|
703
|
+
};
|
|
704
|
+
};
|
|
705
|
+
d?: {
|
|
706
|
+
[k: string]: {
|
|
707
|
+
task_id: string;
|
|
708
|
+
band_gap: number;
|
|
709
|
+
cbm: number | null;
|
|
710
|
+
vbm: number | null;
|
|
711
|
+
efermi: number;
|
|
712
|
+
spin_polarization: number | null;
|
|
713
|
+
};
|
|
714
|
+
};
|
|
715
|
+
};
|
|
716
|
+
/**
|
|
717
|
+
* Magnetic ordering type
|
|
718
|
+
*/
|
|
719
|
+
magnetic_ordering?: string;
|
|
720
|
+
} | null;
|
|
721
|
+
/**
|
|
722
|
+
* Density of states for spin up
|
|
723
|
+
*/
|
|
724
|
+
dos_energy_up?: {} | null;
|
|
725
|
+
/**
|
|
726
|
+
* Density of states for spin down
|
|
727
|
+
*/
|
|
728
|
+
dos_energy_down?: {} | null;
|
|
729
|
+
/**
|
|
730
|
+
* Whether the material is magnetic
|
|
731
|
+
*/
|
|
732
|
+
is_magnetic: boolean;
|
|
733
|
+
/**
|
|
734
|
+
* Magnetic ordering
|
|
735
|
+
*/
|
|
736
|
+
ordering: string;
|
|
737
|
+
/**
|
|
738
|
+
* Total magnetization
|
|
739
|
+
*/
|
|
740
|
+
total_magnetization: number;
|
|
741
|
+
/**
|
|
742
|
+
* Volume-normalized magnetization
|
|
743
|
+
*/
|
|
744
|
+
total_magnetization_normalized_vol: number;
|
|
745
|
+
/**
|
|
746
|
+
* Formula unit normalized magnetization
|
|
747
|
+
*/
|
|
748
|
+
total_magnetization_normalized_formula_units: number;
|
|
749
|
+
/**
|
|
750
|
+
* Number of magnetic sites
|
|
751
|
+
*/
|
|
752
|
+
num_magnetic_sites: number;
|
|
753
|
+
/**
|
|
754
|
+
* Number of unique magnetic sites
|
|
755
|
+
*/
|
|
756
|
+
num_unique_magnetic_sites: number;
|
|
757
|
+
/**
|
|
758
|
+
* Types of magnetic species
|
|
759
|
+
*/
|
|
760
|
+
types_of_magnetic_species: string[];
|
|
761
|
+
bulk_modulus: {
|
|
762
|
+
/**
|
|
763
|
+
* Voigt bulk modulus in GPa
|
|
764
|
+
*/
|
|
765
|
+
voigt: number;
|
|
766
|
+
/**
|
|
767
|
+
* Reuss bulk modulus in GPa
|
|
768
|
+
*/
|
|
769
|
+
reuss: number;
|
|
770
|
+
/**
|
|
771
|
+
* Voigt-Reuss-Hill bulk modulus in GPa
|
|
772
|
+
*/
|
|
773
|
+
vrh: number;
|
|
774
|
+
} | null;
|
|
775
|
+
shear_modulus: {
|
|
776
|
+
/**
|
|
777
|
+
* Voigt shear modulus in GPa
|
|
778
|
+
*/
|
|
779
|
+
voigt: number;
|
|
780
|
+
/**
|
|
781
|
+
* Reuss shear modulus in GPa
|
|
782
|
+
*/
|
|
783
|
+
reuss: number;
|
|
784
|
+
/**
|
|
785
|
+
* Voigt-Reuss-Hill shear modulus in GPa
|
|
786
|
+
*/
|
|
787
|
+
vrh: number;
|
|
788
|
+
} | null;
|
|
789
|
+
/**
|
|
790
|
+
* Universal anisotropy index
|
|
791
|
+
*/
|
|
792
|
+
universal_anisotropy: number | null;
|
|
793
|
+
/**
|
|
794
|
+
* Homogeneous Poisson ratio
|
|
795
|
+
*/
|
|
796
|
+
homogeneous_poisson: number | null;
|
|
797
|
+
/**
|
|
798
|
+
* Total energy
|
|
799
|
+
*/
|
|
800
|
+
e_total?: number | null;
|
|
801
|
+
/**
|
|
802
|
+
* Ionic energy
|
|
803
|
+
*/
|
|
804
|
+
e_ionic?: number | null;
|
|
805
|
+
/**
|
|
806
|
+
* Electronic energy
|
|
807
|
+
*/
|
|
808
|
+
e_electronic?: number | null;
|
|
809
|
+
/**
|
|
810
|
+
* Refractive index
|
|
811
|
+
*/
|
|
812
|
+
n?: number | null;
|
|
813
|
+
/**
|
|
814
|
+
* Maximum elastic constant
|
|
815
|
+
*/
|
|
816
|
+
e_ij_max?: number | null;
|
|
817
|
+
/**
|
|
818
|
+
* Weighted surface energy in eV/Ų
|
|
819
|
+
*/
|
|
820
|
+
weighted_surface_energy_EV_PER_ANG2?: number | null;
|
|
821
|
+
/**
|
|
822
|
+
* Weighted surface energy
|
|
823
|
+
*/
|
|
824
|
+
weighted_surface_energy?: number | null;
|
|
825
|
+
/**
|
|
826
|
+
* Weighted work function
|
|
827
|
+
*/
|
|
828
|
+
weighted_work_function?: number | null;
|
|
829
|
+
/**
|
|
830
|
+
* Surface anisotropy
|
|
831
|
+
*/
|
|
832
|
+
surface_anisotropy?: number | null;
|
|
833
|
+
/**
|
|
834
|
+
* Shape factor
|
|
835
|
+
*/
|
|
836
|
+
shape_factor?: number | null;
|
|
837
|
+
/**
|
|
838
|
+
* Whether surface has reconstruction
|
|
839
|
+
*/
|
|
840
|
+
has_reconstructed?: boolean | null;
|
|
841
|
+
/**
|
|
842
|
+
* Possible ionic species
|
|
843
|
+
*/
|
|
844
|
+
possible_species: string[] | null;
|
|
845
|
+
has_props: {
|
|
846
|
+
materials: boolean;
|
|
847
|
+
thermo: boolean;
|
|
848
|
+
xas: boolean;
|
|
849
|
+
grain_boundaries: boolean;
|
|
850
|
+
chemenv: boolean;
|
|
851
|
+
electronic_structure: boolean;
|
|
852
|
+
absorption: boolean;
|
|
853
|
+
bandstructure: boolean;
|
|
854
|
+
dos: boolean;
|
|
855
|
+
magnetism: boolean;
|
|
856
|
+
elasticity: boolean;
|
|
857
|
+
dielectric: boolean;
|
|
858
|
+
piezoelectric: boolean;
|
|
859
|
+
surface_properties: boolean;
|
|
860
|
+
oxi_states: boolean;
|
|
861
|
+
provenance: boolean;
|
|
862
|
+
charge_density: boolean;
|
|
863
|
+
eos: boolean;
|
|
864
|
+
phonon: boolean;
|
|
865
|
+
insertion_electrodes: boolean;
|
|
866
|
+
substrates: boolean;
|
|
867
|
+
};
|
|
868
|
+
/**
|
|
869
|
+
* Whether this is a theoretical material
|
|
870
|
+
*/
|
|
871
|
+
theoretical: boolean;
|
|
872
|
+
database_IDs: {
|
|
873
|
+
/**
|
|
874
|
+
* ICSD database identifiers
|
|
875
|
+
*/
|
|
876
|
+
icsd?: string[];
|
|
877
|
+
};
|
|
878
|
+
}
|
|
879
|
+
/**
|
|
880
|
+
* This interface was referenced by `MaterialsProjectSchema`'s JSON-Schema
|
|
881
|
+
* via the `definition` "bandstructure_data".
|
|
882
|
+
*/
|
|
883
|
+
export interface BandstructureData {
|
|
884
|
+
task_id: string;
|
|
885
|
+
band_gap: number;
|
|
886
|
+
cbm: {
|
|
887
|
+
band_index: {
|
|
888
|
+
[k: string]: number[];
|
|
889
|
+
};
|
|
890
|
+
kpoint_index: number[];
|
|
891
|
+
kpoint: {
|
|
892
|
+
lattice: {
|
|
893
|
+
"@module": string;
|
|
894
|
+
"@class": string;
|
|
895
|
+
/**
|
|
896
|
+
* @minItems 3
|
|
897
|
+
* @maxItems 3
|
|
898
|
+
*/
|
|
899
|
+
matrix: [[number, number, number], [number, number, number], [number, number, number]];
|
|
900
|
+
/**
|
|
901
|
+
* @minItems 3
|
|
902
|
+
* @maxItems 3
|
|
903
|
+
*/
|
|
904
|
+
pbc: [boolean, boolean, boolean];
|
|
905
|
+
};
|
|
906
|
+
/**
|
|
907
|
+
* @minItems 3
|
|
908
|
+
* @maxItems 3
|
|
909
|
+
*/
|
|
910
|
+
fcoords: [number, number, number];
|
|
911
|
+
/**
|
|
912
|
+
* @minItems 3
|
|
913
|
+
* @maxItems 3
|
|
914
|
+
*/
|
|
915
|
+
ccoords: [number, number, number];
|
|
916
|
+
label: string | null;
|
|
917
|
+
"@module": string;
|
|
918
|
+
"@class": string;
|
|
919
|
+
};
|
|
920
|
+
energy: number;
|
|
921
|
+
projections: {
|
|
922
|
+
[k: string]: number[][];
|
|
923
|
+
};
|
|
924
|
+
} | null;
|
|
925
|
+
vbm: {
|
|
926
|
+
band_index: {
|
|
927
|
+
[k: string]: number[];
|
|
928
|
+
};
|
|
929
|
+
kpoint_index: number[];
|
|
930
|
+
kpoint: {
|
|
931
|
+
lattice: {
|
|
932
|
+
"@module": string;
|
|
933
|
+
"@class": string;
|
|
934
|
+
/**
|
|
935
|
+
* @minItems 3
|
|
936
|
+
* @maxItems 3
|
|
937
|
+
*/
|
|
938
|
+
matrix: [[number, number, number], [number, number, number], [number, number, number]];
|
|
939
|
+
/**
|
|
940
|
+
* @minItems 3
|
|
941
|
+
* @maxItems 3
|
|
942
|
+
*/
|
|
943
|
+
pbc: [boolean, boolean, boolean];
|
|
944
|
+
};
|
|
945
|
+
/**
|
|
946
|
+
* @minItems 3
|
|
947
|
+
* @maxItems 3
|
|
948
|
+
*/
|
|
949
|
+
fcoords: [number, number, number];
|
|
950
|
+
/**
|
|
951
|
+
* @minItems 3
|
|
952
|
+
* @maxItems 3
|
|
953
|
+
*/
|
|
954
|
+
ccoords: [number, number, number];
|
|
955
|
+
label: string | null;
|
|
956
|
+
"@module": string;
|
|
957
|
+
"@class": string;
|
|
958
|
+
};
|
|
959
|
+
energy: number;
|
|
960
|
+
projections: {
|
|
961
|
+
[k: string]: number[][];
|
|
962
|
+
};
|
|
963
|
+
} | null;
|
|
964
|
+
efermi: number | null;
|
|
965
|
+
is_gap_direct: boolean;
|
|
966
|
+
is_metal: boolean;
|
|
967
|
+
magnetic_ordering: string;
|
|
968
|
+
equivalent_labels: {
|
|
969
|
+
[k: string]: {
|
|
970
|
+
[k: string]: {
|
|
971
|
+
[k: string]: string;
|
|
972
|
+
};
|
|
973
|
+
};
|
|
974
|
+
};
|
|
975
|
+
nbands: number;
|
|
976
|
+
direct_gap: number;
|
|
977
|
+
}
|
|
978
|
+
/**
|
|
979
|
+
* This interface was referenced by `MaterialsProjectSchema`'s JSON-Schema
|
|
980
|
+
* via the `definition` "band_extrema".
|
|
981
|
+
*/
|
|
982
|
+
export interface BandExtrema {
|
|
983
|
+
band_index: {
|
|
984
|
+
[k: string]: number[];
|
|
985
|
+
};
|
|
986
|
+
kpoint_index: number[];
|
|
987
|
+
kpoint: {
|
|
988
|
+
lattice: {
|
|
989
|
+
"@module": string;
|
|
990
|
+
"@class": string;
|
|
991
|
+
/**
|
|
992
|
+
* @minItems 3
|
|
993
|
+
* @maxItems 3
|
|
994
|
+
*/
|
|
995
|
+
matrix: [[number, number, number], [number, number, number], [number, number, number]];
|
|
996
|
+
/**
|
|
997
|
+
* @minItems 3
|
|
998
|
+
* @maxItems 3
|
|
999
|
+
*/
|
|
1000
|
+
pbc: [boolean, boolean, boolean];
|
|
1001
|
+
};
|
|
1002
|
+
/**
|
|
1003
|
+
* @minItems 3
|
|
1004
|
+
* @maxItems 3
|
|
1005
|
+
*/
|
|
1006
|
+
fcoords: [number, number, number];
|
|
1007
|
+
/**
|
|
1008
|
+
* @minItems 3
|
|
1009
|
+
* @maxItems 3
|
|
1010
|
+
*/
|
|
1011
|
+
ccoords: [number, number, number];
|
|
1012
|
+
label: string | null;
|
|
1013
|
+
"@module": string;
|
|
1014
|
+
"@class": string;
|
|
1015
|
+
};
|
|
1016
|
+
energy: number;
|
|
1017
|
+
projections: {
|
|
1018
|
+
[k: string]: number[][];
|
|
1019
|
+
};
|
|
1020
|
+
}
|
|
1021
|
+
/**
|
|
1022
|
+
* This interface was referenced by `MaterialsProjectSchema`'s JSON-Schema
|
|
1023
|
+
* via the `definition` "kpoint".
|
|
1024
|
+
*/
|
|
1025
|
+
export interface Kpoint {
|
|
1026
|
+
lattice: {
|
|
1027
|
+
"@module": string;
|
|
1028
|
+
"@class": string;
|
|
1029
|
+
/**
|
|
1030
|
+
* @minItems 3
|
|
1031
|
+
* @maxItems 3
|
|
1032
|
+
*/
|
|
1033
|
+
matrix: [[number, number, number], [number, number, number], [number, number, number]];
|
|
1034
|
+
/**
|
|
1035
|
+
* @minItems 3
|
|
1036
|
+
* @maxItems 3
|
|
1037
|
+
*/
|
|
1038
|
+
pbc: [boolean, boolean, boolean];
|
|
1039
|
+
};
|
|
1040
|
+
/**
|
|
1041
|
+
* @minItems 3
|
|
1042
|
+
* @maxItems 3
|
|
1043
|
+
*/
|
|
1044
|
+
fcoords: [number, number, number];
|
|
1045
|
+
/**
|
|
1046
|
+
* @minItems 3
|
|
1047
|
+
* @maxItems 3
|
|
1048
|
+
*/
|
|
1049
|
+
ccoords: [number, number, number];
|
|
1050
|
+
label: string | null;
|
|
1051
|
+
"@module": string;
|
|
1052
|
+
"@class": string;
|
|
1053
|
+
}
|
|
1054
|
+
/**
|
|
1055
|
+
* This interface was referenced by `MaterialsProjectSchema`'s JSON-Schema
|
|
1056
|
+
* via the `definition` "dos_data".
|
|
1057
|
+
*/
|
|
1058
|
+
export interface DosData {
|
|
1059
|
+
task_id: string;
|
|
1060
|
+
band_gap: number;
|
|
1061
|
+
cbm: number | null;
|
|
1062
|
+
vbm: number | null;
|
|
1063
|
+
efermi: number;
|
|
1064
|
+
spin_polarization: number | null;
|
|
1065
|
+
}
|
|
1066
|
+
/** Schema dist/js/schema/apse/db/materials_project/legacy/material.json */
|
|
1067
|
+
/**
|
|
1068
|
+
* JSON schema for Materials Project API legacy material endpoint response
|
|
1069
|
+
*/
|
|
1070
|
+
export interface MaterialsProjectLegacyMaterialSchema {
|
|
1071
|
+
/**
|
|
1072
|
+
* Total energy
|
|
1073
|
+
*/
|
|
1074
|
+
energy: number;
|
|
1075
|
+
/**
|
|
1076
|
+
* Energy per atom
|
|
1077
|
+
*/
|
|
1078
|
+
energy_per_atom: number;
|
|
1079
|
+
/**
|
|
1080
|
+
* Unit cell volume
|
|
1081
|
+
*/
|
|
1082
|
+
volume: number;
|
|
1083
|
+
/**
|
|
1084
|
+
* Formation energy per atom
|
|
1085
|
+
*/
|
|
1086
|
+
formation_energy_per_atom: number;
|
|
1087
|
+
/**
|
|
1088
|
+
* Number of sites in unit cell
|
|
1089
|
+
*/
|
|
1090
|
+
nsites: number;
|
|
1091
|
+
/**
|
|
1092
|
+
* Unit cell formula as element counts
|
|
1093
|
+
*/
|
|
1094
|
+
unit_cell_formula: {
|
|
1095
|
+
[k: string]: number;
|
|
1096
|
+
};
|
|
1097
|
+
/**
|
|
1098
|
+
* Pretty formatted chemical formula
|
|
1099
|
+
*/
|
|
1100
|
+
pretty_formula: string;
|
|
1101
|
+
/**
|
|
1102
|
+
* Whether Hubbard U correction was applied
|
|
1103
|
+
*/
|
|
1104
|
+
is_hubbard: boolean;
|
|
1105
|
+
/**
|
|
1106
|
+
* List of elements in the material
|
|
1107
|
+
*/
|
|
1108
|
+
elements: string[];
|
|
1109
|
+
/**
|
|
1110
|
+
* Number of distinct elements
|
|
1111
|
+
*/
|
|
1112
|
+
nelements: number;
|
|
1113
|
+
/**
|
|
1114
|
+
* Energy above convex hull
|
|
1115
|
+
*/
|
|
1116
|
+
e_above_hull: number | null;
|
|
1117
|
+
/**
|
|
1118
|
+
* Hubbard U values
|
|
1119
|
+
*/
|
|
1120
|
+
hubbards: {
|
|
1121
|
+
[k: string]: unknown;
|
|
1122
|
+
};
|
|
1123
|
+
/**
|
|
1124
|
+
* Whether material is compatible
|
|
1125
|
+
*/
|
|
1126
|
+
is_compatible: boolean;
|
|
1127
|
+
/**
|
|
1128
|
+
* Spacegroup information
|
|
1129
|
+
*/
|
|
1130
|
+
spacegroup: {
|
|
1131
|
+
symprec?: number;
|
|
1132
|
+
source?: string;
|
|
1133
|
+
symbol?: string;
|
|
1134
|
+
number?: number;
|
|
1135
|
+
point_group?: string;
|
|
1136
|
+
crystal_system?: string;
|
|
1137
|
+
hall?: string;
|
|
1138
|
+
};
|
|
1139
|
+
/**
|
|
1140
|
+
* List of task IDs
|
|
1141
|
+
*/
|
|
1142
|
+
task_ids: string[];
|
|
1143
|
+
/**
|
|
1144
|
+
* Band gap value
|
|
1145
|
+
*/
|
|
1146
|
+
band_gap: number;
|
|
1147
|
+
/**
|
|
1148
|
+
* Material density
|
|
1149
|
+
*/
|
|
1150
|
+
density: number;
|
|
1151
|
+
/**
|
|
1152
|
+
* ICSD ID (single)
|
|
1153
|
+
*/
|
|
1154
|
+
icsd_id?: number | null;
|
|
1155
|
+
/**
|
|
1156
|
+
* List of ICSD IDs
|
|
1157
|
+
*/
|
|
1158
|
+
icsd_ids: number[];
|
|
1159
|
+
/**
|
|
1160
|
+
* CIF file content
|
|
1161
|
+
*/
|
|
1162
|
+
cif: string;
|
|
1163
|
+
/**
|
|
1164
|
+
* Total magnetization
|
|
1165
|
+
*/
|
|
1166
|
+
total_magnetization: number;
|
|
1167
|
+
/**
|
|
1168
|
+
* Material ID from Materials Project
|
|
1169
|
+
*/
|
|
1170
|
+
material_id: string;
|
|
1171
|
+
/**
|
|
1172
|
+
* Oxide type classification
|
|
1173
|
+
*/
|
|
1174
|
+
oxide_type: string;
|
|
1175
|
+
/**
|
|
1176
|
+
* Material tags/names
|
|
1177
|
+
*/
|
|
1178
|
+
tags: string[];
|
|
1179
|
+
/**
|
|
1180
|
+
* Elasticity data
|
|
1181
|
+
*/
|
|
1182
|
+
elasticity?: {
|
|
1183
|
+
/**
|
|
1184
|
+
* Reuss shear modulus in GPa
|
|
1185
|
+
*/
|
|
1186
|
+
G_Reuss?: number;
|
|
1187
|
+
/**
|
|
1188
|
+
* Voigt-Reuss-Hill shear modulus in GPa
|
|
1189
|
+
*/
|
|
1190
|
+
G_VRH?: number;
|
|
1191
|
+
/**
|
|
1192
|
+
* Voigt shear modulus in GPa
|
|
1193
|
+
*/
|
|
1194
|
+
G_Voigt?: number;
|
|
1195
|
+
/**
|
|
1196
|
+
* Voigt-Reuss-Hill shear modulus in GPa (alternative field)
|
|
1197
|
+
*/
|
|
1198
|
+
G_Voigt_Reuss_Hill?: number;
|
|
1199
|
+
/**
|
|
1200
|
+
* Reuss bulk modulus in GPa
|
|
1201
|
+
*/
|
|
1202
|
+
K_Reuss?: number;
|
|
1203
|
+
/**
|
|
1204
|
+
* Voigt-Reuss-Hill bulk modulus in GPa
|
|
1205
|
+
*/
|
|
1206
|
+
K_VRH?: number;
|
|
1207
|
+
/**
|
|
1208
|
+
* Voigt bulk modulus in GPa
|
|
1209
|
+
*/
|
|
1210
|
+
K_Voigt?: number;
|
|
1211
|
+
/**
|
|
1212
|
+
* Voigt-Reuss-Hill bulk modulus in GPa (alternative field)
|
|
1213
|
+
*/
|
|
1214
|
+
K_Voigt_Reuss_Hill?: number;
|
|
1215
|
+
/**
|
|
1216
|
+
* Elastic anisotropy
|
|
1217
|
+
*/
|
|
1218
|
+
elastic_anisotropy?: number;
|
|
1219
|
+
/**
|
|
1220
|
+
* 6x6 elastic tensor in GPa
|
|
1221
|
+
*/
|
|
1222
|
+
elastic_tensor?: number[][];
|
|
1223
|
+
/**
|
|
1224
|
+
* Homogeneous Poisson ratio
|
|
1225
|
+
*/
|
|
1226
|
+
homogeneous_poisson?: number;
|
|
1227
|
+
/**
|
|
1228
|
+
* Poisson ratio
|
|
1229
|
+
*/
|
|
1230
|
+
poisson_ratio?: number;
|
|
1231
|
+
/**
|
|
1232
|
+
* Universal elastic anisotropy
|
|
1233
|
+
*/
|
|
1234
|
+
universal_anisotropy?: number;
|
|
1235
|
+
/**
|
|
1236
|
+
* Original 6x6 elastic tensor in GPa
|
|
1237
|
+
*/
|
|
1238
|
+
elastic_tensor_original?: number[][];
|
|
1239
|
+
/**
|
|
1240
|
+
* 6x6 compliance tensor in GPa^-1
|
|
1241
|
+
*/
|
|
1242
|
+
compliance_tensor?: number[][];
|
|
1243
|
+
/**
|
|
1244
|
+
* Warnings about elastic properties
|
|
1245
|
+
*/
|
|
1246
|
+
warnings?: string[];
|
|
1247
|
+
/**
|
|
1248
|
+
* Number of sites in the structure
|
|
1249
|
+
*/
|
|
1250
|
+
nsites?: number;
|
|
1251
|
+
} | null;
|
|
1252
|
+
/**
|
|
1253
|
+
* Piezoelectric data
|
|
1254
|
+
*/
|
|
1255
|
+
piezo?: {} | null;
|
|
1256
|
+
/**
|
|
1257
|
+
* Dielectric data
|
|
1258
|
+
*/
|
|
1259
|
+
diel?: {} | null;
|
|
1260
|
+
/**
|
|
1261
|
+
* Whether material is deprecated
|
|
1262
|
+
*/
|
|
1263
|
+
deprecated: boolean;
|
|
1264
|
+
/**
|
|
1265
|
+
* Full chemical formula
|
|
1266
|
+
*/
|
|
1267
|
+
full_formula: string;
|
|
1268
|
+
}
|
|
1
1269
|
/** Schema dist/js/schema/apse/db/nist_jarvis/2024.3.13/atoms.json */
|
|
2
1270
|
/**
|
|
3
1271
|
* NIST J.A.R.V.I.S. db entry `atoms` key schema. Based on https://figshare.com/articles/dataset/Monolayer_data_for_heterostructure/22344571
|
|
@@ -94,6 +1362,10 @@ export interface NISTJARVISDbEntrySchema {
|
|
|
94
1362
|
jid?: string;
|
|
95
1363
|
[k: string]: unknown;
|
|
96
1364
|
}
|
|
1365
|
+
/** Schema dist/js/schema/apse/db/third_party_sources.json */
|
|
1366
|
+
export interface ThirdPartySources {
|
|
1367
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
1368
|
+
}
|
|
97
1369
|
/** Schema dist/js/schema/apse/file/applications/espresso/7.2/pw.x/atomic_positions.json */
|
|
98
1370
|
/**
|
|
99
1371
|
* https://www.quantum-espresso.org/Doc/INPUT_PW.html#idm1493
|
|
@@ -6505,7 +7777,7 @@ export interface MaterialSchema {
|
|
|
6505
7777
|
/**
|
|
6506
7778
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
6507
7779
|
*/
|
|
6508
|
-
source:
|
|
7780
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
6509
7781
|
/**
|
|
6510
7782
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
6511
7783
|
*/
|
|
@@ -6807,7 +8079,7 @@ export interface InterfaceConfigurationSchema {
|
|
|
6807
8079
|
/**
|
|
6808
8080
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
6809
8081
|
*/
|
|
6810
|
-
source:
|
|
8082
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
6811
8083
|
/**
|
|
6812
8084
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
6813
8085
|
*/
|
|
@@ -7080,7 +8352,7 @@ export interface InterfaceConfigurationSchema {
|
|
|
7080
8352
|
/**
|
|
7081
8353
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
7082
8354
|
*/
|
|
7083
|
-
source:
|
|
8355
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
7084
8356
|
/**
|
|
7085
8357
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
7086
8358
|
*/
|
|
@@ -7401,7 +8673,7 @@ export interface InterfaceConfigurationSchema {
|
|
|
7401
8673
|
/**
|
|
7402
8674
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
7403
8675
|
*/
|
|
7404
|
-
source:
|
|
8676
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
7405
8677
|
/**
|
|
7406
8678
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
7407
8679
|
*/
|
|
@@ -7674,7 +8946,7 @@ export interface InterfaceConfigurationSchema {
|
|
|
7674
8946
|
/**
|
|
7675
8947
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
7676
8948
|
*/
|
|
7677
|
-
source:
|
|
8949
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
7678
8950
|
/**
|
|
7679
8951
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
7680
8952
|
*/
|
|
@@ -7984,7 +9256,7 @@ export interface InterfaceConfigurationSchema {
|
|
|
7984
9256
|
/**
|
|
7985
9257
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
7986
9258
|
*/
|
|
7987
|
-
source:
|
|
9259
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
7988
9260
|
/**
|
|
7989
9261
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
7990
9262
|
*/
|
|
@@ -8257,7 +9529,7 @@ export interface InterfaceConfigurationSchema {
|
|
|
8257
9529
|
/**
|
|
8258
9530
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
8259
9531
|
*/
|
|
8260
|
-
source:
|
|
9532
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
8261
9533
|
/**
|
|
8262
9534
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
8263
9535
|
*/
|
|
@@ -8578,7 +9850,7 @@ export interface InterfaceConfigurationSchema {
|
|
|
8578
9850
|
/**
|
|
8579
9851
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
8580
9852
|
*/
|
|
8581
|
-
source:
|
|
9853
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
8582
9854
|
/**
|
|
8583
9855
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
8584
9856
|
*/
|
|
@@ -8851,7 +10123,7 @@ export interface InterfaceConfigurationSchema {
|
|
|
8851
10123
|
/**
|
|
8852
10124
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
8853
10125
|
*/
|
|
8854
|
-
source:
|
|
10126
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
8855
10127
|
/**
|
|
8856
10128
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
8857
10129
|
*/
|
|
@@ -9162,7 +10434,7 @@ export interface InterfaceConfigurationSchema {
|
|
|
9162
10434
|
/**
|
|
9163
10435
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
9164
10436
|
*/
|
|
9165
|
-
source:
|
|
10437
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
9166
10438
|
/**
|
|
9167
10439
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
9168
10440
|
*/
|
|
@@ -9435,7 +10707,7 @@ export interface InterfaceConfigurationSchema {
|
|
|
9435
10707
|
/**
|
|
9436
10708
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
9437
10709
|
*/
|
|
9438
|
-
source:
|
|
10710
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
9439
10711
|
/**
|
|
9440
10712
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
9441
10713
|
*/
|
|
@@ -9756,7 +11028,7 @@ export interface InterfaceConfigurationSchema {
|
|
|
9756
11028
|
/**
|
|
9757
11029
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
9758
11030
|
*/
|
|
9759
|
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source:
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+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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/**
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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|
*/
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@@ -10029,7 +11301,7 @@ export interface InterfaceConfigurationSchema {
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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source:
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+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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|
*/
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@@ -10339,7 +11611,7 @@ export interface InterfaceConfigurationSchema {
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/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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source:
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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|
*/
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@@ -10612,7 +11884,7 @@ export interface InterfaceConfigurationSchema {
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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-
source:
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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|
*/
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@@ -10933,7 +12205,7 @@ export interface InterfaceConfigurationSchema {
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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|
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source:
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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|
*/
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|
@@ -11206,7 +12478,7 @@ export interface InterfaceConfigurationSchema {
|
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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|
-
source:
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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|
*/
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|
@@ -11494,7 +12766,7 @@ export interface InterfaceConfigurationSchema {
|
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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|
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|
-
source:
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
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|
*/
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|
@@ -11823,7 +13095,7 @@ export interface GrainBoundaryLinearConfigurationSchema {
|
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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|
-
source:
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
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|
*/
|
|
@@ -12096,7 +13368,7 @@ export interface GrainBoundaryLinearConfigurationSchema {
|
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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|
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|
-
source:
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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|
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
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|
*/
|
|
@@ -12417,7 +13689,7 @@ export interface GrainBoundaryLinearConfigurationSchema {
|
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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|
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|
-
source:
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|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
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|
/**
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|
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
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|
*/
|
|
@@ -12690,7 +13962,7 @@ export interface GrainBoundaryLinearConfigurationSchema {
|
|
|
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
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|
*/
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|
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|
-
source:
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|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
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|
/**
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|
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
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|
*/
|
|
@@ -13000,7 +14272,7 @@ export interface GrainBoundaryLinearConfigurationSchema {
|
|
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
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|
*/
|
|
@@ -13273,7 +14545,7 @@ export interface GrainBoundaryLinearConfigurationSchema {
|
|
|
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|
/**
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|
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
13279
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|
*/
|
|
@@ -13594,7 +14866,7 @@ export interface GrainBoundaryLinearConfigurationSchema {
|
|
|
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|
/**
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|
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
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|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
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|
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
13600
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|
*/
|
|
@@ -13867,7 +15139,7 @@ export interface GrainBoundaryLinearConfigurationSchema {
|
|
|
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|
/**
|
|
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
13873
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|
*/
|
|
@@ -14217,7 +15489,7 @@ export interface AdatomDefectConfigurationSchema {
|
|
|
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|
/**
|
|
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
14223
15495
|
*/
|
|
@@ -14490,7 +15762,7 @@ export interface AdatomDefectConfigurationSchema {
|
|
|
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|
/**
|
|
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
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|
*/
|
|
@@ -14770,7 +16042,7 @@ export interface AdatomDefectConfigurationSchema {
|
|
|
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|
/**
|
|
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
14776
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|
*/
|
|
@@ -15052,7 +16324,7 @@ export interface AdatomDefectConfigurationSchema {
|
|
|
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|
/**
|
|
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16325
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
15057
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
15058
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|
*/
|
|
@@ -15378,7 +16650,7 @@ export interface GrainBoundaryPlanarConfigurationSchema {
|
|
|
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|
/**
|
|
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
15383
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
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|
*/
|
|
@@ -15651,7 +16923,7 @@ export interface GrainBoundaryPlanarConfigurationSchema {
|
|
|
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|
/**
|
|
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
15656
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
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16929
|
*/
|
|
@@ -15972,7 +17244,7 @@ export interface GrainBoundaryPlanarConfigurationSchema {
|
|
|
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|
/**
|
|
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
15977
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
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|
*/
|
|
@@ -16245,7 +17517,7 @@ export interface GrainBoundaryPlanarConfigurationSchema {
|
|
|
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|
/**
|
|
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
16250
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
16251
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|
*/
|
|
@@ -16555,7 +17827,7 @@ export interface GrainBoundaryPlanarConfigurationSchema {
|
|
|
16555
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|
/**
|
|
16556
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
16560
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
16561
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|
*/
|
|
@@ -16828,7 +18100,7 @@ export interface GrainBoundaryPlanarConfigurationSchema {
|
|
|
16828
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|
/**
|
|
16829
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
16833
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
16834
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|
*/
|
|
@@ -17149,7 +18421,7 @@ export interface GrainBoundaryPlanarConfigurationSchema {
|
|
|
17149
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|
/**
|
|
17150
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
17154
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
17155
18427
|
*/
|
|
@@ -17422,7 +18694,7 @@ export interface GrainBoundaryPlanarConfigurationSchema {
|
|
|
17422
18694
|
/**
|
|
17423
18695
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
17427
18699
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
17428
18700
|
*/
|
|
@@ -17733,7 +19005,7 @@ export interface GrainBoundaryPlanarConfigurationSchema {
|
|
|
17733
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|
/**
|
|
17734
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
17738
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
17739
19011
|
*/
|
|
@@ -18006,7 +19278,7 @@ export interface GrainBoundaryPlanarConfigurationSchema {
|
|
|
18006
19278
|
/**
|
|
18007
19279
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
18010
19282
|
/**
|
|
18011
19283
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
18012
19284
|
*/
|
|
@@ -18327,7 +19599,7 @@ export interface GrainBoundaryPlanarConfigurationSchema {
|
|
|
18327
19599
|
/**
|
|
18328
19600
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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19601
|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
18331
19603
|
/**
|
|
18332
19604
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
18333
19605
|
*/
|
|
@@ -18600,7 +19872,7 @@ export interface GrainBoundaryPlanarConfigurationSchema {
|
|
|
18600
19872
|
/**
|
|
18601
19873
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
18602
19874
|
*/
|
|
18603
|
-
source:
|
|
19875
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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/**
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* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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*/
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@@ -18910,7 +20182,7 @@ export interface GrainBoundaryPlanarConfigurationSchema {
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/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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*/
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-
source:
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+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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/**
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* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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*/
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@@ -19183,7 +20455,7 @@ export interface GrainBoundaryPlanarConfigurationSchema {
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/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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*/
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source:
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+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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*/
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@@ -19504,7 +20776,7 @@ export interface GrainBoundaryPlanarConfigurationSchema {
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/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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-
source:
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+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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*/
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@@ -19777,7 +21049,7 @@ export interface GrainBoundaryPlanarConfigurationSchema {
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/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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source:
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+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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|
*/
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@@ -20065,7 +21337,7 @@ export interface GrainBoundaryPlanarConfigurationSchema {
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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-
source:
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+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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|
*/
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@@ -20388,7 +21660,7 @@ export interface IslandDefectConfigurationSchema {
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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|
-
source:
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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|
*/
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|
@@ -20661,7 +21933,7 @@ export interface IslandDefectConfigurationSchema {
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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|
-
source:
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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|
*/
|
|
@@ -20977,7 +22249,7 @@ export interface IslandDefectConfigurationSchema {
|
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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|
-
source:
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
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|
*/
|
|
@@ -21250,7 +22522,7 @@ export interface IslandDefectConfigurationSchema {
|
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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|
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|
-
source:
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|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
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|
*/
|
|
@@ -21530,7 +22802,7 @@ export interface IslandDefectConfigurationSchema {
|
|
|
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
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|
/**
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|
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
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|
*/
|
|
@@ -21860,7 +23132,7 @@ export interface IslandDefectConfigurationSchema {
|
|
|
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
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|
/**
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|
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
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|
*/
|
|
@@ -22180,7 +23452,7 @@ export interface TerraceDefectConfigurationSchema {
|
|
|
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|
/**
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|
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
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|
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
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23458
|
*/
|
|
@@ -22453,7 +23725,7 @@ export interface TerraceDefectConfigurationSchema {
|
|
|
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|
/**
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|
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
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|
*/
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|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
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|
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
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23731
|
*/
|
|
@@ -22769,7 +24041,7 @@ export interface TerraceDefectConfigurationSchema {
|
|
|
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|
/**
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|
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
22774
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
22775
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|
*/
|
|
@@ -23042,7 +24314,7 @@ export interface TerraceDefectConfigurationSchema {
|
|
|
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|
/**
|
|
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
23048
24320
|
*/
|
|
@@ -23322,7 +24594,7 @@ export interface TerraceDefectConfigurationSchema {
|
|
|
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|
/**
|
|
23323
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
23327
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
23328
24600
|
*/
|
|
@@ -23652,7 +24924,7 @@ export interface TerraceDefectConfigurationSchema {
|
|
|
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24924
|
/**
|
|
23653
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
23657
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
23658
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|
*/
|
|
@@ -23945,7 +25217,7 @@ export interface PointDefectBaseConfigurationSchema {
|
|
|
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25217
|
/**
|
|
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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25219
|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
23950
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
23951
25223
|
*/
|
|
@@ -24218,7 +25490,7 @@ export interface InterstitialPointDefectSchema {
|
|
|
24218
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|
/**
|
|
24219
25491
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
24220
25492
|
*/
|
|
24221
|
-
source:
|
|
25493
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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25494
|
/**
|
|
24223
25495
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
24224
25496
|
*/
|
|
@@ -24478,7 +25750,7 @@ export interface InterstitialPointDefectSchema {
|
|
|
24478
25750
|
/**
|
|
24479
25751
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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25752
|
*/
|
|
24481
|
-
source:
|
|
25753
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
24482
25754
|
/**
|
|
24483
25755
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
24484
25756
|
*/
|
|
@@ -24764,7 +26036,7 @@ export interface SubstitutionalPointDefectSchema {
|
|
|
24764
26036
|
/**
|
|
24765
26037
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
24766
26038
|
*/
|
|
24767
|
-
source:
|
|
26039
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
24768
26040
|
/**
|
|
24769
26041
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
24770
26042
|
*/
|
|
@@ -25024,7 +26296,7 @@ export interface SubstitutionalPointDefectSchema {
|
|
|
25024
26296
|
/**
|
|
25025
26297
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
25026
26298
|
*/
|
|
25027
|
-
source:
|
|
26299
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
25028
26300
|
/**
|
|
25029
26301
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
25030
26302
|
*/
|
|
@@ -25310,7 +26582,7 @@ export interface VacancyPointDefectSchema {
|
|
|
25310
26582
|
/**
|
|
25311
26583
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
25312
26584
|
*/
|
|
25313
|
-
source:
|
|
26585
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
25314
26586
|
/**
|
|
25315
26587
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
25316
26588
|
*/
|
|
@@ -25582,7 +26854,7 @@ export interface IdealCrystalSchema {
|
|
|
25582
26854
|
/**
|
|
25583
26855
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
25584
26856
|
*/
|
|
25585
|
-
source:
|
|
26857
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
25586
26858
|
/**
|
|
25587
26859
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
25588
26860
|
*/
|
|
@@ -25899,7 +27171,7 @@ export interface NanoribbonConfigurationSchema {
|
|
|
25899
27171
|
/**
|
|
25900
27172
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
25901
27173
|
*/
|
|
25902
|
-
source:
|
|
27174
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
25903
27175
|
/**
|
|
25904
27176
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
25905
27177
|
*/
|
|
@@ -26172,7 +27444,7 @@ export interface NanoribbonConfigurationSchema {
|
|
|
26172
27444
|
/**
|
|
26173
27445
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
26174
27446
|
*/
|
|
26175
|
-
source:
|
|
27447
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
26176
27448
|
/**
|
|
26177
27449
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
26178
27450
|
*/
|
|
@@ -26460,7 +27732,7 @@ export interface NanoribbonConfigurationSchema {
|
|
|
26460
27732
|
/**
|
|
26461
27733
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
26462
27734
|
*/
|
|
26463
|
-
source:
|
|
27735
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
26464
27736
|
/**
|
|
26465
27737
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
26466
27738
|
*/
|
|
@@ -26791,7 +28063,7 @@ export interface NanoTapeConfigurationSchema {
|
|
|
26791
28063
|
/**
|
|
26792
28064
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
26793
28065
|
*/
|
|
26794
|
-
source:
|
|
28066
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
26795
28067
|
/**
|
|
26796
28068
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
26797
28069
|
*/
|
|
@@ -27064,7 +28336,7 @@ export interface NanoTapeConfigurationSchema {
|
|
|
27064
28336
|
/**
|
|
27065
28337
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
27066
28338
|
*/
|
|
27067
|
-
source:
|
|
28339
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
27068
28340
|
/**
|
|
27069
28341
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
27070
28342
|
*/
|
|
@@ -27378,7 +28650,7 @@ export interface SlabConfigurationSchema {
|
|
|
27378
28650
|
/**
|
|
27379
28651
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
27380
28652
|
*/
|
|
27381
|
-
source:
|
|
28653
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
27382
28654
|
/**
|
|
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* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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*/
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@@ -27651,7 +28923,7 @@ export interface SlabConfigurationSchema {
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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*/
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source:
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+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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*/
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@@ -27977,7 +29249,7 @@ export interface SlabStrainedSupercellConfigurationSchema {
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/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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*/
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source:
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+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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|
*/
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@@ -28250,7 +29522,7 @@ export interface SlabStrainedSupercellConfigurationSchema {
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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-
source:
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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|
*/
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@@ -28535,7 +29807,7 @@ export interface PassivationConfigurationSchema {
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/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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source:
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+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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/**
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* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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|
*/
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@@ -28794,7 +30066,7 @@ export interface PassivationConfigurationSchema {
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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|
-
source:
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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|
*/
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@@ -29064,7 +30336,7 @@ export interface PassivationConfigurationSchema {
|
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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|
-
source:
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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|
*/
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@@ -29323,7 +30595,7 @@ export interface PassivationConfigurationSchema {
|
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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|
-
source:
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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|
*/
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|
@@ -29593,7 +30865,7 @@ export interface PassivationConfigurationSchema {
|
|
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29593
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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|
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|
-
source:
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|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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|
*/
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|
@@ -29852,7 +31124,7 @@ export interface PassivationConfigurationSchema {
|
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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|
-
source:
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
/**
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|
29857
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
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|
*/
|
|
@@ -30192,7 +31464,7 @@ export interface CrystalSiteSchema {
|
|
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30192
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|
/**
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30193
31465
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
30196
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|
/**
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|
30197
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
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|
*/
|
|
@@ -30462,7 +31734,7 @@ export interface PointDefectSiteSchema {
|
|
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|
/**
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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|
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|
-
source:
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|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
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|
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|
/**
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|
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
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|
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|
*/
|
|
@@ -30740,7 +32012,7 @@ export interface VoidRegionSchema {
|
|
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30740
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|
/**
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|
30741
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
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|
*/
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|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
30745
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
30746
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|
*/
|
|
@@ -31056,7 +32328,7 @@ export interface CrystalSchema {
|
|
|
31056
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|
/**
|
|
31057
32329
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
31060
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|
/**
|
|
31061
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
31062
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|
*/
|
|
@@ -31394,7 +32666,7 @@ export interface VacuumConfigurationSchema {
|
|
|
31394
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|
/**
|
|
31395
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
31397
|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
31399
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
31400
32672
|
*/
|
|
@@ -31683,7 +32955,7 @@ export interface CrystalLatticeLinesSchema {
|
|
|
31683
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|
/**
|
|
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
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|
/**
|
|
31688
32960
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
31689
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|
*/
|
|
@@ -31993,7 +33265,7 @@ export interface CrystalLatticeLinesUniqueRepeatedSchema {
|
|
|
31993
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|
/**
|
|
31994
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
31995
33267
|
*/
|
|
31996
|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
31997
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|
/**
|
|
31998
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
31999
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|
*/
|
|
@@ -32262,7 +33534,7 @@ export interface CrystalLatticeBaseSchema {
|
|
|
32262
33534
|
/**
|
|
32263
33535
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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33536
|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
32266
33538
|
/**
|
|
32267
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|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
32268
33540
|
*/
|
|
@@ -32539,7 +33811,7 @@ export interface NonUniformlyStrainedCrystalConfigurationSchema {
|
|
|
32539
33811
|
/**
|
|
32540
33812
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
32543
33815
|
/**
|
|
32544
33816
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
32545
33817
|
*/
|
|
@@ -32809,7 +34081,7 @@ export interface UniformlyStrainedCrystalConfigurationSchema {
|
|
|
32809
34081
|
/**
|
|
32810
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|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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34083
|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
32813
34085
|
/**
|
|
32814
34086
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
32815
34087
|
*/
|
|
@@ -33078,7 +34350,7 @@ export interface SupercellConfigurationSchema {
|
|
|
33078
34350
|
/**
|
|
33079
34351
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
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34352
|
*/
|
|
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|
-
source:
|
|
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|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
33082
34354
|
/**
|
|
33083
34355
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
33084
34356
|
*/
|
|
@@ -33382,7 +34654,7 @@ export interface AtomicLayersSchema {
|
|
|
33382
34654
|
/**
|
|
33383
34655
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
33384
34656
|
*/
|
|
33385
|
-
source:
|
|
34657
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
33386
34658
|
/**
|
|
33387
34659
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
33388
34660
|
*/
|
|
@@ -33685,7 +34957,7 @@ export interface AtomicLayersUniqueSchema {
|
|
|
33685
34957
|
/**
|
|
33686
34958
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
33687
34959
|
*/
|
|
33688
|
-
source:
|
|
34960
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
33689
34961
|
/**
|
|
33690
34962
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
33691
34963
|
*/
|
|
@@ -33978,7 +35250,7 @@ export interface AtomicLayersUniqueRepeatedSchema {
|
|
|
33978
35250
|
/**
|
|
33979
35251
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
33980
35252
|
*/
|
|
33981
|
-
source:
|
|
35253
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
33982
35254
|
/**
|
|
33983
35255
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
33984
35256
|
*/
|
|
@@ -34254,7 +35526,7 @@ export interface CrystalLatticePlanesSchema {
|
|
|
34254
35526
|
/**
|
|
34255
35527
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
34256
35528
|
*/
|
|
34257
|
-
source:
|
|
35529
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
34258
35530
|
/**
|
|
34259
35531
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
34260
35532
|
*/
|
|
@@ -34559,7 +35831,7 @@ export interface SlabStackConfigurationSchema {
|
|
|
34559
35831
|
/**
|
|
34560
35832
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
34561
35833
|
*/
|
|
34562
|
-
source:
|
|
35834
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
34563
35835
|
/**
|
|
34564
35836
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
34565
35837
|
*/
|
|
@@ -34832,7 +36104,7 @@ export interface SlabStackConfigurationSchema {
|
|
|
34832
36104
|
/**
|
|
34833
36105
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
34834
36106
|
*/
|
|
34835
|
-
source:
|
|
36107
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
34836
36108
|
/**
|
|
34837
36109
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
34838
36110
|
*/
|
|
@@ -35121,7 +36393,7 @@ export interface SlabStackConfigurationSchema {
|
|
|
35121
36393
|
/**
|
|
35122
36394
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
35123
36395
|
*/
|
|
35124
|
-
source:
|
|
36396
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
35125
36397
|
/**
|
|
35126
36398
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
35127
36399
|
*/
|
|
@@ -35442,7 +36714,7 @@ export interface PerturbationSchema {
|
|
|
35442
36714
|
/**
|
|
35443
36715
|
* Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.
|
|
35444
36716
|
*/
|
|
35445
|
-
source:
|
|
36717
|
+
source: "MaterialsProject" | "MaterialsProjectLegacy" | "ICSD" | "2dmatpedia";
|
|
35446
36718
|
/**
|
|
35447
36719
|
* Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).
|
|
35448
36720
|
*/
|