@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
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},
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|
"source": {
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|
"description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
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|
},
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|
"origin": {
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|
"description": "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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@@ -5258,8 +5288,8 @@
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|
"type": "object",
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|
"required": [
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"properties": {
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"source": {
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"description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
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|
},
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|
"origin": {
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|
"description": "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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@@ -619,8 +619,8 @@
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|
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],
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"properties": {
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"id": {
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@@ -636,7 +636,13 @@
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"source": {
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"description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
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-
"type": "string"
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"enum": [
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]
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|
},
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|
"origin": {
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|
"description": "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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@@ -619,8 +619,8 @@
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|
"type": "object",
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|
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],
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|
"properties": {
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|
"id": {
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|
@@ -636,7 +636,13 @@
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|
},
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|
"source": {
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|
"description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
|
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|
-
"type": "string"
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|
+
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|
+
"enum": [
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|
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"MaterialsProject",
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|
+
"MaterialsProjectLegacy",
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|
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"ICSD",
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|
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"2dmatpedia"
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|
+
]
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|
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|
},
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|
"origin": {
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|
"description": "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).",
|
|
@@ -1386,8 +1392,8 @@
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|
"type": "object",
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|
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|
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|
],
|
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|
"properties": {
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|
"id": {
|
|
@@ -1403,7 +1409,13 @@
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|
},
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|
"source": {
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|
"description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
|
|
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|
-
"type": "string"
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|
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|
+
"type": "string",
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|
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|
+
"enum": [
|
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|
+
"MaterialsProject",
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|
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"MaterialsProjectLegacy",
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|
+
"ICSD",
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|
+
"2dmatpedia"
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|
+
]
|
|
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1419
|
},
|
|
1408
1420
|
"origin": {
|
|
1409
1421
|
"description": "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).",
|
|
@@ -619,8 +619,8 @@
|
|
|
619
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|
"type": "object",
|
|
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|
"required": [
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|
"id",
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|
-
"
|
|
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|
-
"
|
|
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|
+
"origin",
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|
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"source"
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|
],
|
|
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|
"properties": {
|
|
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|
"id": {
|
|
@@ -636,7 +636,13 @@
|
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|
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|
},
|
|
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637
|
"source": {
|
|
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|
"description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
|
|
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|
-
"type": "string"
|
|
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|
+
"type": "string",
|
|
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|
+
"enum": [
|
|
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|
+
"MaterialsProject",
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|
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|
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"MaterialsProjectLegacy",
|
|
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|
+
"ICSD",
|
|
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|
+
"2dmatpedia"
|
|
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|
+
]
|
|
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646
|
},
|
|
641
647
|
"origin": {
|
|
642
648
|
"description": "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).",
|
|
@@ -1386,8 +1392,8 @@
|
|
|
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1392
|
"type": "object",
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|
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|
"required": [
|
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|
"id",
|
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|
-
"
|
|
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|
-
"
|
|
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|
+
"origin",
|
|
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|
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"source"
|
|
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|
],
|
|
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|
"properties": {
|
|
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1399
|
"id": {
|
|
@@ -1403,7 +1409,13 @@
|
|
|
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1409
|
},
|
|
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1410
|
"source": {
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|
"description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
|
|
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|
-
"type": "string"
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|
+
"type": "string",
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|
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|
+
"enum": [
|
|
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|
+
"MaterialsProject",
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|
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|
+
"MaterialsProjectLegacy",
|
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|
+
"ICSD",
|
|
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|
+
"2dmatpedia"
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|
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|
+
]
|
|
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1419
|
},
|
|
1408
1420
|
"origin": {
|
|
1409
1421
|
"description": "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).",
|
|
@@ -619,8 +619,8 @@
|
|
|
619
619
|
"type": "object",
|
|
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620
|
"required": [
|
|
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621
|
"id",
|
|
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|
-
"
|
|
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|
-
"
|
|
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|
+
"origin",
|
|
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|
+
"source"
|
|
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624
|
],
|
|
625
625
|
"properties": {
|
|
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626
|
"id": {
|
|
@@ -636,7 +636,13 @@
|
|
|
636
636
|
},
|
|
637
637
|
"source": {
|
|
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638
|
"description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
|
|
639
|
-
"type": "string"
|
|
639
|
+
"type": "string",
|
|
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|
+
"enum": [
|
|
641
|
+
"MaterialsProject",
|
|
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|
+
"MaterialsProjectLegacy",
|
|
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|
+
"ICSD",
|
|
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|
+
"2dmatpedia"
|
|
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|
+
]
|
|
640
646
|
},
|
|
641
647
|
"origin": {
|
|
642
648
|
"description": "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).",
|
package/dist/js/schema/materials_category/pristine_structures/three_dimensional/ideal_crystal.json
CHANGED
|
@@ -605,8 +605,8 @@
|
|
|
605
605
|
"type": "object",
|
|
606
606
|
"required": [
|
|
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607
|
"id",
|
|
608
|
-
"
|
|
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|
-
"
|
|
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|
+
"origin",
|
|
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|
+
"source"
|
|
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610
|
],
|
|
611
611
|
"properties": {
|
|
612
612
|
"id": {
|
|
@@ -622,7 +622,13 @@
|
|
|
622
622
|
},
|
|
623
623
|
"source": {
|
|
624
624
|
"description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
|
|
625
|
-
"type": "string"
|
|
625
|
+
"type": "string",
|
|
626
|
+
"enum": [
|
|
627
|
+
"MaterialsProject",
|
|
628
|
+
"MaterialsProjectLegacy",
|
|
629
|
+
"ICSD",
|
|
630
|
+
"2dmatpedia"
|
|
631
|
+
]
|
|
626
632
|
},
|
|
627
633
|
"origin": {
|
|
628
634
|
"description": "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).",
|
package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanoribbon.json
CHANGED
|
@@ -971,8 +971,8 @@
|
|
|
971
971
|
"type": "object",
|
|
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972
|
"required": [
|
|
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973
|
"id",
|
|
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|
-
"
|
|
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|
-
"
|
|
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|
+
"origin",
|
|
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|
+
"source"
|
|
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976
|
],
|
|
977
977
|
"properties": {
|
|
978
978
|
"id": {
|
|
@@ -988,7 +988,13 @@
|
|
|
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988
|
},
|
|
989
989
|
"source": {
|
|
990
990
|
"description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
|
|
991
|
-
"type": "string"
|
|
991
|
+
"type": "string",
|
|
992
|
+
"enum": [
|
|
993
|
+
"MaterialsProject",
|
|
994
|
+
"MaterialsProjectLegacy",
|
|
995
|
+
"ICSD",
|
|
996
|
+
"2dmatpedia"
|
|
997
|
+
]
|
|
992
998
|
},
|
|
993
999
|
"origin": {
|
|
994
1000
|
"description": "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).",
|
|
@@ -1762,8 +1768,8 @@
|
|
|
1762
1768
|
"type": "object",
|
|
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1769
|
"required": [
|
|
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1770
|
"id",
|
|
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|
-
"
|
|
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|
-
"
|
|
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|
+
"origin",
|
|
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|
+
"source"
|
|
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1773
|
],
|
|
1768
1774
|
"properties": {
|
|
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1775
|
"id": {
|
|
@@ -1779,7 +1785,13 @@
|
|
|
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1785
|
},
|
|
1780
1786
|
"source": {
|
|
1781
1787
|
"description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
|
|
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|
-
"type": "string"
|
|
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|
+
"type": "string",
|
|
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|
+
"enum": [
|
|
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|
+
"MaterialsProject",
|
|
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|
+
"MaterialsProjectLegacy",
|
|
1792
|
+
"ICSD",
|
|
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|
+
"2dmatpedia"
|
|
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|
+
]
|
|
1783
1795
|
},
|
|
1784
1796
|
"origin": {
|
|
1785
1797
|
"description": "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).",
|
|
@@ -2588,8 +2600,8 @@
|
|
|
2588
2600
|
"type": "object",
|
|
2589
2601
|
"required": [
|
|
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2602
|
"id",
|
|
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|
-
"
|
|
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|
-
"
|
|
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|
+
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|
|
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|
+
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|
|
2593
2605
|
],
|
|
2594
2606
|
"properties": {
|
|
2595
2607
|
"id": {
|
|
@@ -2605,7 +2617,13 @@
|
|
|
2605
2617
|
},
|
|
2606
2618
|
"source": {
|
|
2607
2619
|
"description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
|
|
2608
|
-
"type": "string"
|
|
2620
|
+
"type": "string",
|
|
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|
+
"enum": [
|
|
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|
+
"MaterialsProject",
|
|
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|
+
"MaterialsProjectLegacy",
|
|
2624
|
+
"ICSD",
|
|
2625
|
+
"2dmatpedia"
|
|
2626
|
+
]
|
|
2609
2627
|
},
|
|
2610
2628
|
"origin": {
|
|
2611
2629
|
"description": "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).",
|
|
@@ -956,8 +956,8 @@
|
|
|
956
956
|
"type": "object",
|
|
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957
|
"required": [
|
|
958
958
|
"id",
|
|
959
|
-
"
|
|
960
|
-
"
|
|
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|
+
"origin",
|
|
960
|
+
"source"
|
|
961
961
|
],
|
|
962
962
|
"properties": {
|
|
963
963
|
"id": {
|
|
@@ -973,7 +973,13 @@
|
|
|
973
973
|
},
|
|
974
974
|
"source": {
|
|
975
975
|
"description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
|
|
976
|
-
"type": "string"
|
|
976
|
+
"type": "string",
|
|
977
|
+
"enum": [
|
|
978
|
+
"MaterialsProject",
|
|
979
|
+
"MaterialsProjectLegacy",
|
|
980
|
+
"ICSD",
|
|
981
|
+
"2dmatpedia"
|
|
982
|
+
]
|
|
977
983
|
},
|
|
978
984
|
"origin": {
|
|
979
985
|
"description": "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).",
|
|
@@ -1747,8 +1753,8 @@
|
|
|
1747
1753
|
"type": "object",
|
|
1748
1754
|
"required": [
|
|
1749
1755
|
"id",
|
|
1750
|
-
"
|
|
1751
|
-
"
|
|
1756
|
+
"origin",
|
|
1757
|
+
"source"
|
|
1752
1758
|
],
|
|
1753
1759
|
"properties": {
|
|
1754
1760
|
"id": {
|
|
@@ -1764,7 +1770,13 @@
|
|
|
1764
1770
|
},
|
|
1765
1771
|
"source": {
|
|
1766
1772
|
"description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
|
|
1767
|
-
"type": "string"
|
|
1773
|
+
"type": "string",
|
|
1774
|
+
"enum": [
|
|
1775
|
+
"MaterialsProject",
|
|
1776
|
+
"MaterialsProjectLegacy",
|
|
1777
|
+
"ICSD",
|
|
1778
|
+
"2dmatpedia"
|
|
1779
|
+
]
|
|
1768
1780
|
},
|
|
1769
1781
|
"origin": {
|
|
1770
1782
|
"description": "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).",
|