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{
"id": "jvasp-66635",
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"updated_at": "2022-09-04T14:36:19.806723Z",
"structure_string": "Ba1 Sb1 Br1\n1.0\n-0.000000 4.034188 4.034188\n4.034188 -0.000000 4.034188\n4.034188 4.034188 0.000000\nBa Sb Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Br\n",
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{
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{
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"updated_at": "2022-09-04T14:36:13.549286Z",
"structure_string": "Ba1 Yb3\n1.0\n5.594016 0.000000 -0.000000\n0.000000 5.594016 0.000000\n0.000000 0.000000 5.594016\nYb Ba\n3 1\ndirect\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 4,
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"elements": [
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"volume": 175.05362664442418,
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{
"id": "jvasp-90776",
"created_at": "2022-09-04T14:36:17.437548Z",
"updated_at": "2022-09-04T14:36:17.437566Z",
"structure_string": "Sr6 Mg2\n1.0\n5.548123 0.000000 -0.000000\n0.000000 5.548123 0.000000\n0.000000 0.000000 11.372119\nSr Mg\n6 2\ndirect\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.250000 Sr\n0.000000 0.500000 0.250000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.750000 Sr\n0.500000 0.000000 0.750000 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 8,
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"elements": [
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"density": 2.7244387124911267,
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"volume": 350.05280087521294,
"volume_molar": 26.350840503784795,
"formula_full": "Sr6 Mg2",
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{
"id": "jvasp-66387",
"created_at": "2022-09-04T14:36:06.583593Z",
"updated_at": "2022-09-04T14:36:06.583609Z",
"structure_string": "Ba1 Y1 Cl1\n1.0\n0.000000 4.033728 4.033728\n4.033728 -0.000000 4.033728\n4.033728 4.033728 -0.000000\nBa Y Cl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Ba-Cl-Y",
"density": 3.310392675305709,
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"volume": 131.2652666080765,
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"formula_full": "Ba1 Y1 Cl1",
"formula_reduced": "BaYCl",
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{
"id": "jvasp-120940",
"created_at": "2022-09-04T14:38:54.556023Z",
"updated_at": "2022-09-04T14:38:54.556050Z",
"structure_string": "Ca1 Br1\n1.0\n5.052180 -0.000000 -0.000000\n-2.526090 4.375316 -0.000000\n0.000000 -0.000000 3.958547\nCa Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.000000 Br\n",
"nsites": 2,
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"elements": [
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"Br"
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"volume": 87.50322219952895,
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"spacegroup": 187
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{
"id": "jvasp-66296",
"created_at": "2022-09-04T14:35:51.675194Z",
"updated_at": "2022-09-04T14:35:51.675214Z",
"structure_string": "Ba1 Pb1 Cl1\n1.0\n-0.000000 4.033176 4.033176\n4.033176 -0.000000 4.033176\n4.033176 4.033176 0.000000\nBa Pb Cl\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Cl\n",
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"elements": [
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"volume": 131.21138455755215,
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"formula_full": "Ba1 Pb1 Cl1",
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"spacegroup": 216
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{
"id": "jvasp-100231",
"created_at": "2022-09-04T14:36:33.876840Z",
"updated_at": "2022-09-04T14:36:33.876861Z",
"structure_string": "Sr2 Ca6\n1.0\n7.893851 0.000000 0.000000\n-3.946926 6.836276 0.000000\n0.000000 0.000000 6.481824\nSr Ca\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.164572 0.329142 0.250000 Ca\n0.670858 0.835429 0.250000 Ca\n0.164571 0.835429 0.250000 Ca\n0.835428 0.670858 0.750000 Ca\n0.329142 0.164572 0.750000 Ca\n0.835428 0.164572 0.750000 Ca\n",
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"elements": [
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"density_atomic": 0.02287095185768741,
"volume": 349.7886773484257,
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"formula_full": "Sr2 Ca6",
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"spacegroup": 194
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{
"id": "jvasp-66071",
"created_at": "2022-09-04T14:36:04.256402Z",
"updated_at": "2022-09-04T14:36:04.256427Z",
"structure_string": "Ba1 Na1 Nb1\n1.0\n-0.000000 4.032585 4.032585\n4.032585 0.000000 4.032585\n4.032585 4.032585 -0.000000\nBa Na Nb\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Na\n0.499999 0.499999 0.499999 Nb\n",
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],
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"volume": 131.15371196974763,
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"formula_full": "Ba1 Na1 Nb1",
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{
"id": "jvasp-66365",
"created_at": "2022-09-04T14:35:40.868252Z",
"updated_at": "2022-09-04T14:35:40.868277Z",
"structure_string": "Ba1 Na1 Pb1\n1.0\n-0.000000 4.032198 4.032198\n4.032198 -0.000000 4.032198\n4.032198 4.032198 -0.000000\nBa Na Pb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Pb\n",
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"volume": 131.11595582895072,
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{
"id": "jvasp-114098",
"created_at": "2022-09-04T14:38:46.831593Z",
"updated_at": "2022-09-04T14:38:46.831621Z",
"structure_string": "Ba2 Te2\n1.0\n4.981331 0.000000 -0.000000\n0.000000 4.981331 -0.000000\n-0.000000 -0.000000 7.045218\nBa Te\n2 2\ndirect\n0.000000 0.000000 0.249997 Ba\n0.500000 0.500000 0.750004 Ba\n0.000000 0.000000 0.750012 Te\n0.500000 0.500000 0.249988 Te\n",
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"spacegroup": 225
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{
"id": "jvasp-25105",
"created_at": "2022-09-04T14:37:50.762108Z",
"updated_at": "2022-09-04T14:37:50.762136Z",
"structure_string": "Ca4\n1.0\n-0.000000 0.000000 -6.496639\n-3.667652 -3.667652 -3.248319\n-3.667652 3.667652 -3.248319\nCa\n4\ndirect\n0.170282 0.159437 0.500000 Ca\n0.829719 0.840563 0.500000 Ca\n0.329719 0.500000 0.840563 Ca\n0.670282 0.500000 0.159437 Ca\n",
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