@mat3ra/esse 2025.6.5-0 → 2025.6.14-0
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/materials_category/pristine_structures/two_dimensional/slab.json +129 -1
- package/dist/js/example/materials_category_components/entities/core/two_dimensional/vacuum.json +129 -1
- package/dist/js/example/materials_category_components/operations/core/combinations/merge.json +129 -1
- package/dist/js/example/materials_category_components/operations/core/combinations/stack.json +129 -1
- package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab.json +759 -2
- package/dist/js/schema/materials_category_components/entities/auxiliary/two_dimensional/termination.json +1 -1
- package/dist/js/schema/materials_category_components/entities/core/two_dimensional/vacuum.json +758 -1
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers.json +1 -1
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique.json +1 -1
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique_repeated.json +1 -1
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/slab_unit_cell.json +759 -2
- package/dist/js/schema/materials_category_components/operations/core/combinations/merge.json +758 -1
- package/dist/js/schema/materials_category_components/operations/core/combinations/stack.json +758 -1
- package/dist/js/schema/materials_category_components/operations/core/combinations/stack_component.json +758 -1
- package/dist/js/schemas.json +1 -1
- package/dist/js/types.d.ts +5103 -2513
- package/example/materials_category/pristine_structures/two-dimensional/slab.json +4 -1
- package/example/materials_category_components/entities/core/two-dimensional/vacuum.json +5 -2
- package/package.json +1 -1
- package/schema/materials_category_components/entities/auxiliary/two-dimensional/termination.json +1 -1
- package/schema/materials_category_components/entities/core/two-dimensional/vacuum.json +6 -1
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"exabyteId": "RKiswuxHKkF3uvLyA",
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"formula": "Si",
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"name": "Silicon FCC",
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"owner": {
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"_id": "HtxACY2wX4b2hS8Rv",
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"cls": "Account",
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"slug": "exabyte"
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"scaledHash": "5bd4eb168e3530628eb1295d88221cbb",
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"schemaVersion": "0.2.0",
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"slug": "silicon-fcc",
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"unitCellFormula": "Si2",
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"updatedAt": "2016-04-04T17:58:42.867Z"
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package/dist/js/example/materials_category_components/entities/core/two_dimensional/vacuum.json
CHANGED
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"createdAt": "2016-04-03T05:25:37.430Z",
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"creator": {
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"_id": "HtxACY2wX4b2hS8Rv",
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"cls": "User",
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"slug": "exadmin"
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"derivedProperties": [
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"name": "volume",
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"units": "angstrom^3",
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"value": 131.1
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"name": "density",
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"element": "Si",
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"exabyteId": "RKiswuxHKkF3uvLyA",
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"formula": "Si",
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"hash": "4ac3fa057e3530628eb1295c77110eaa",
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"alat": 1,
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"c": [
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"units": "angstrom"
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"name": "Silicon FCC",
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"owner": {
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"_id": "HtxACY2wX4b2hS8Rv",
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"cls": "Account",
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"slug": "exabyte"
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"scaledHash": "5bd4eb168e3530628eb1295d88221cbb",
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"schemaVersion": "0.2.0",
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"slug": "silicon-fcc",
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"unitCellFormula": "Si2",
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"updatedAt": "2016-04-04T17:58:42.867Z"
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}
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package/dist/js/example/materials_category_components/operations/core/combinations/merge.json
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"crystal": {
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"createdAt": "2016-04-03T05:25:37.430Z",
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"creator": {
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"slug": "exadmin"
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"derivedProperties": [
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"units": "angstrom^3",
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"value": 131.1
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"name": "density",
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"units": "g/cm^3",
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"value": 2.33
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"name": "symmetry",
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"spaceGroupSymbol": "Fd-3m",
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"tolerance": {
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"value": 0.3
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},
|
|
193
|
+
{
|
|
194
|
+
"degree": 10,
|
|
195
|
+
"name": "p-norm",
|
|
196
|
+
"value": 0.71
|
|
197
|
+
},
|
|
198
|
+
{
|
|
199
|
+
"element": "Si",
|
|
200
|
+
"name": "elemental_ratio",
|
|
201
|
+
"value": 0.71
|
|
202
|
+
},
|
|
203
|
+
{
|
|
204
|
+
"name": "inchi",
|
|
205
|
+
"value": ""
|
|
206
|
+
},
|
|
207
|
+
{
|
|
208
|
+
"name": "inchi_key",
|
|
209
|
+
"value": ""
|
|
210
|
+
}
|
|
211
|
+
],
|
|
212
|
+
"exabyteId": "RKiswuxHKkF3uvLyA",
|
|
213
|
+
"formula": "Si",
|
|
214
|
+
"hash": "4ac3fa057e3530628eb1295c77110eaa",
|
|
215
|
+
"isDefault": false,
|
|
216
|
+
"isNonPeriodic": false,
|
|
217
|
+
"lattice": {
|
|
218
|
+
"name": "lattice",
|
|
219
|
+
"a": 5.14,
|
|
220
|
+
"alpha": 90,
|
|
221
|
+
"b": 5.14,
|
|
222
|
+
"beta": 90,
|
|
223
|
+
"c": 5.14,
|
|
224
|
+
"gamma": 90,
|
|
225
|
+
"type": "CUB",
|
|
226
|
+
"units": {
|
|
227
|
+
"angle": "degree",
|
|
228
|
+
"length": "angstrom"
|
|
229
|
+
},
|
|
230
|
+
"vectors": {
|
|
231
|
+
"a": [
|
|
232
|
+
5,
|
|
233
|
+
0.000121312,
|
|
234
|
+
0.000131415
|
|
235
|
+
],
|
|
236
|
+
"alat": 1,
|
|
237
|
+
"b": [
|
|
238
|
+
0.000121312,
|
|
239
|
+
5,
|
|
240
|
+
0.000121314
|
|
241
|
+
],
|
|
242
|
+
"c": [
|
|
243
|
+
0.000121313,
|
|
244
|
+
0.000121312,
|
|
245
|
+
5
|
|
246
|
+
],
|
|
247
|
+
"units": "angstrom"
|
|
248
|
+
}
|
|
249
|
+
},
|
|
250
|
+
"name": "Silicon FCC",
|
|
251
|
+
"owner": {
|
|
252
|
+
"_id": "HtxACY2wX4b2hS8Rv",
|
|
253
|
+
"cls": "Account",
|
|
254
|
+
"slug": "exabyte"
|
|
255
|
+
},
|
|
256
|
+
"scaledHash": "5bd4eb168e3530628eb1295d88221cbb",
|
|
257
|
+
"schemaVersion": "0.2.0",
|
|
258
|
+
"slug": "silicon-fcc",
|
|
259
|
+
"unitCellFormula": "Si2",
|
|
260
|
+
"updatedAt": "2016-04-04T17:58:42.867Z"
|
|
261
|
+
}
|
|
134
262
|
}
|
|
135
263
|
],
|
|
136
264
|
"method": "add"
|
package/dist/js/example/materials_category_components/operations/core/combinations/stack.json
CHANGED
|
@@ -130,7 +130,135 @@
|
|
|
130
130
|
},
|
|
131
131
|
{
|
|
132
132
|
"direction": "z",
|
|
133
|
-
"size": 10
|
|
133
|
+
"size": 10,
|
|
134
|
+
"crystal": {
|
|
135
|
+
"_id": "LCthJ6E2QabYCZqf3",
|
|
136
|
+
"basis": {
|
|
137
|
+
"coordinates": [
|
|
138
|
+
{
|
|
139
|
+
"id": 1,
|
|
140
|
+
"value": [
|
|
141
|
+
0,
|
|
142
|
+
0,
|
|
143
|
+
0
|
|
144
|
+
]
|
|
145
|
+
},
|
|
146
|
+
{
|
|
147
|
+
"id": 2,
|
|
148
|
+
"value": [
|
|
149
|
+
0.25,
|
|
150
|
+
0.25,
|
|
151
|
+
0.25
|
|
152
|
+
]
|
|
153
|
+
}
|
|
154
|
+
],
|
|
155
|
+
"elements": [
|
|
156
|
+
{
|
|
157
|
+
"id": 1,
|
|
158
|
+
"value": "Si"
|
|
159
|
+
},
|
|
160
|
+
{
|
|
161
|
+
"id": 2,
|
|
162
|
+
"value": "Si"
|
|
163
|
+
}
|
|
164
|
+
],
|
|
165
|
+
"name": "basis",
|
|
166
|
+
"units": "crystal"
|
|
167
|
+
},
|
|
168
|
+
"createdAt": "2016-04-03T05:25:37.430Z",
|
|
169
|
+
"creator": {
|
|
170
|
+
"_id": "HtxACY2wX4b2hS8Rv",
|
|
171
|
+
"cls": "User",
|
|
172
|
+
"slug": "exadmin"
|
|
173
|
+
},
|
|
174
|
+
"derivedProperties": [
|
|
175
|
+
{
|
|
176
|
+
"name": "volume",
|
|
177
|
+
"units": "angstrom^3",
|
|
178
|
+
"value": 131.1
|
|
179
|
+
},
|
|
180
|
+
{
|
|
181
|
+
"name": "density",
|
|
182
|
+
"units": "g/cm^3",
|
|
183
|
+
"value": 2.33
|
|
184
|
+
},
|
|
185
|
+
{
|
|
186
|
+
"name": "symmetry",
|
|
187
|
+
"spaceGroupSymbol": "Fd-3m",
|
|
188
|
+
"tolerance": {
|
|
189
|
+
"units": "angstrom",
|
|
190
|
+
"value": 0.3
|
|
191
|
+
}
|
|
192
|
+
},
|
|
193
|
+
{
|
|
194
|
+
"degree": 10,
|
|
195
|
+
"name": "p-norm",
|
|
196
|
+
"value": 0.71
|
|
197
|
+
},
|
|
198
|
+
{
|
|
199
|
+
"element": "Si",
|
|
200
|
+
"name": "elemental_ratio",
|
|
201
|
+
"value": 0.71
|
|
202
|
+
},
|
|
203
|
+
{
|
|
204
|
+
"name": "inchi",
|
|
205
|
+
"value": ""
|
|
206
|
+
},
|
|
207
|
+
{
|
|
208
|
+
"name": "inchi_key",
|
|
209
|
+
"value": ""
|
|
210
|
+
}
|
|
211
|
+
],
|
|
212
|
+
"exabyteId": "RKiswuxHKkF3uvLyA",
|
|
213
|
+
"formula": "Si",
|
|
214
|
+
"hash": "4ac3fa057e3530628eb1295c77110eaa",
|
|
215
|
+
"isDefault": false,
|
|
216
|
+
"isNonPeriodic": false,
|
|
217
|
+
"lattice": {
|
|
218
|
+
"name": "lattice",
|
|
219
|
+
"a": 5.14,
|
|
220
|
+
"alpha": 90,
|
|
221
|
+
"b": 5.14,
|
|
222
|
+
"beta": 90,
|
|
223
|
+
"c": 5.14,
|
|
224
|
+
"gamma": 90,
|
|
225
|
+
"type": "CUB",
|
|
226
|
+
"units": {
|
|
227
|
+
"angle": "degree",
|
|
228
|
+
"length": "angstrom"
|
|
229
|
+
},
|
|
230
|
+
"vectors": {
|
|
231
|
+
"a": [
|
|
232
|
+
5,
|
|
233
|
+
0.000121312,
|
|
234
|
+
0.000131415
|
|
235
|
+
],
|
|
236
|
+
"alat": 1,
|
|
237
|
+
"b": [
|
|
238
|
+
0.000121312,
|
|
239
|
+
5,
|
|
240
|
+
0.000121314
|
|
241
|
+
],
|
|
242
|
+
"c": [
|
|
243
|
+
0.000121313,
|
|
244
|
+
0.000121312,
|
|
245
|
+
5
|
|
246
|
+
],
|
|
247
|
+
"units": "angstrom"
|
|
248
|
+
}
|
|
249
|
+
},
|
|
250
|
+
"name": "Silicon FCC",
|
|
251
|
+
"owner": {
|
|
252
|
+
"_id": "HtxACY2wX4b2hS8Rv",
|
|
253
|
+
"cls": "Account",
|
|
254
|
+
"slug": "exabyte"
|
|
255
|
+
},
|
|
256
|
+
"scaledHash": "5bd4eb168e3530628eb1295d88221cbb",
|
|
257
|
+
"schemaVersion": "0.2.0",
|
|
258
|
+
"slug": "silicon-fcc",
|
|
259
|
+
"unitCellFormula": "Si2",
|
|
260
|
+
"updatedAt": "2016-04-04T17:58:42.867Z"
|
|
261
|
+
}
|
|
134
262
|
}
|
|
135
263
|
],
|
|
136
264
|
"direction": "z"
|