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{
"id": "jvasp-37466",
"created_at": "2022-09-04T14:38:04.665107Z",
"updated_at": "2022-09-04T14:38:04.665132Z",
"structure_string": "Y1 Er1 Hg2\n1.0\n0.000000 3.682335 3.682335\n3.682335 -0.000000 3.682335\n3.682335 3.682335 -0.000000\nY Er Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Y\n0.249999 0.249999 0.249999 Er\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Hg\n",
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{
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"structure_string": "Mg1 Se2\n1.0\n6.905109 0.974998 0.542946\n-2.047179 -3.538861 0.157015\n-2.269070 -1.521114 -3.398516\nMg Se\n1 2\ndirect\n0.095380 0.082549 0.113397 Mg\n0.350963 0.956625 0.931666 Se\n0.839893 0.208587 0.295163 Se\n",
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{
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{
"id": "jvasp-63576",
"created_at": "2022-09-04T14:35:59.092820Z",
"updated_at": "2022-09-04T14:35:59.092847Z",
"structure_string": "Na18 As6\n1.0\n4.386619 -7.597847 0.000000\n4.386619 7.597847 0.000000\n-0.000000 -0.000000 8.988453\nNa As\n18 6\ndirect\n0.698551 0.698551 0.414084 Na\n0.000000 0.000000 0.202841 Na\n0.000000 0.000000 0.702841 Na\n0.333333 0.666667 0.767690 Na\n0.666667 0.333333 0.267690 Na\n0.333333 0.666667 0.267690 Na\n0.666667 0.333333 0.767690 Na\n-0.000000 0.638960 0.575581 Na\n0.361040 0.361040 0.575581 Na\n0.638960 -0.000000 0.575581 Na\n-0.000000 0.361040 0.075581 Na\n0.638960 0.638960 0.075581 Na\n0.698551 -0.000000 0.914084 Na\n-0.000000 0.698551 0.914084 Na\n0.301449 0.301449 0.914084 Na\n0.301449 -0.000000 0.414084 Na\n-0.000000 0.301449 0.414084 Na\n0.361040 -0.000000 0.075581 Na\n-0.000000 0.669251 0.244895 As\n0.669251 0.669251 0.744894 As\n-0.000000 0.330749 0.744894 As\n0.330749 -0.000000 0.744894 As\n0.330749 0.330749 0.244895 As\n0.669251 -0.000000 0.244895 As\n",
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{
"id": "jvasp-101143",
"created_at": "2022-09-04T14:36:44.022207Z",
"updated_at": "2022-09-04T14:36:44.022221Z",
"structure_string": "Na1 Sb1 Se2\n1.0\n4.181886 -0.000000 0.000000\n0.000000 4.181886 0.000000\n-0.000000 -0.000000 5.709963\nNa Sb Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 -0.000000 Se\n",
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{
"id": "jvasp-45360",
"created_at": "2022-09-04T14:37:09.861957Z",
"updated_at": "2022-09-04T14:37:09.861994Z",
"structure_string": "Na16 Ti2 As8\n1.0\n8.416354 -0.000000 4.859184\n2.805452 7.935015 4.859184\n-0.000000 -0.000000 9.718368\nNa Ti As\n16 2 8\ndirect\n-0.000000 0.500000 -0.000000 Na\n0.155647 0.155647 0.594353 Na\n0.155647 0.594353 0.155647 Na\n0.594353 0.155647 0.594353 Na\n0.594353 0.155647 0.155647 Na\n0.405647 0.405647 0.844353 Na\n0.844353 0.405647 0.405647 Na\n0.405647 0.844352 0.405647 Na\n0.155647 0.594353 0.594353 Na\n0.405647 0.844352 0.844353 Na\n0.594353 0.594353 0.155647 Na\n0.844353 0.844352 0.405647 Na\n0.844353 0.405647 0.844353 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 -0.000000 Na\n0.875000 0.875000 0.875000 Ti\n0.125000 0.125000 0.125000 Ti\n0.230374 0.230374 0.808878 As\n0.230374 0.808878 0.230374 As\n0.808878 0.230374 0.230374 As\n0.769625 0.191122 0.769626 As\n0.191122 0.769625 0.769626 As\n0.769625 0.769625 0.191122 As\n0.230374 0.230374 0.230374 As\n0.769625 0.769625 0.769626 As\n",
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{
"id": "jvasp-40907",
"created_at": "2022-09-04T14:37:39.915864Z",
"updated_at": "2022-09-04T14:37:39.915888Z",
"structure_string": "Ca2 Hg6\n1.0\n3.340613 -5.786111 0.000000\n3.340613 5.786111 0.000000\n-0.000000 0.000000 5.165777\nCa Hg\n2 6\ndirect\n0.666667 0.333333 0.250000 Ca\n0.333333 0.666667 0.750000 Ca\n0.835174 0.670348 0.750000 Hg\n0.835174 0.164825 0.750000 Hg\n0.329651 0.164825 0.750000 Hg\n0.164825 0.329651 0.250000 Hg\n0.164825 0.835174 0.250000 Hg\n0.670348 0.835174 0.250000 Hg\n",
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"elements": [
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"density": 10.674135407137607,
"density_atomic": 0.040060042835871904,
"volume": 199.70023578797506,
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"formula_full": "Ca2 Hg6",
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{
"id": "jvasp-113775",
"created_at": "2022-09-04T14:38:48.580581Z",
"updated_at": "2022-09-04T14:38:48.580597Z",
"structure_string": "Tb2 Ag2 Sn2\n1.0\n4.802099 -0.000000 -0.000000\n-2.401048 4.158739 0.000000\n-0.000000 0.000000 7.499749\nTb Ag Sn\n2 2 2\ndirect\n0.000000 -0.000000 0.277171 Tb\n0.000000 -0.000000 0.722829 Tb\n0.333333 0.666667 0.488906 Ag\n0.666667 0.333333 0.511094 Ag\n0.666667 0.333333 0.932848 Sn\n0.333333 0.666667 0.067152 Sn\n",
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{
"id": "jvasp-14160",
"created_at": "2022-09-04T14:36:58.177233Z",
"updated_at": "2022-09-04T14:36:58.177259Z",
"structure_string": "Sn4 Ge4 S12\n1.0\n0.000000 6.930911 -0.084400\n10.205039 0.000000 0.000000\n0.000000 -2.004348 -7.034067\nSn Ge S\n4 4 12\ndirect\n0.727752 0.417131 0.873392 Sn\n0.772248 0.917131 0.126609 Sn\n0.272248 0.582869 0.126609 Sn\n0.227752 0.082869 0.873392 Sn\n0.001809 0.707413 0.679001 Ge\n0.501808 0.792587 0.679001 Ge\n0.998191 0.292587 0.320999 Ge\n0.498191 0.207413 0.320999 Ge\n0.421731 0.322671 0.053714 S\n0.078269 0.822671 0.946287 S\n0.587109 0.996899 0.775086 S\n0.912891 0.496899 0.224914 S\n0.412891 0.003101 0.224914 S\n0.183679 0.787606 0.485602 S\n0.816321 0.212394 0.514399 S\n0.316321 0.287606 0.514399 S\n0.578269 0.677329 0.946287 S\n0.921731 0.177329 0.053714 S\n0.087109 0.503101 0.775086 S\n0.683679 0.712394 0.485602 S\n",
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{
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"created_at": "2022-09-04T14:37:49.403442Z",
"updated_at": "2022-09-04T14:37:49.403455Z",
"structure_string": "Ca1 In1 Hg2\n1.0\n-0.000330 3.681941 3.681941\n3.681941 -0.000330 3.681941\n3.681941 3.681941 -0.000330\nCa In Hg\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ca\n0.750002 0.750002 0.750002 In\n-0.000011 -0.000011 -0.000011 Hg\n0.500010 0.500010 0.500010 Hg\n",
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"formula_full": "Ca1 In1 Hg2",
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{
"id": "jvasp-37440",
"created_at": "2022-09-04T14:38:00.787034Z",
"updated_at": "2022-09-04T14:38:00.787064Z",
"structure_string": "Y1 Lu1 Cd2\n1.0\n0.000000 3.682103 3.682103\n3.682103 -0.000000 3.682103\n3.682103 3.682103 -0.000000\nY Lu Cd\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Y\n0.250000 0.250000 0.250000 Lu\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500001 0.500001 Cd\n",
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{
"id": "jvasp-98737",
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"updated_at": "2022-09-04T14:36:02.270408Z",
"structure_string": "Mn4 Tl4 Cl12\n1.0\n7.047352 -0.000000 0.000000\n0.000000 7.045364 0.000000\n0.000000 0.000000 10.054376\nMn Tl Cl\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.970927 0.004698 0.750000 Tl\n0.529073 0.504698 0.250000 Tl\n0.029073 0.995301 0.250000 Tl\n0.470927 0.495301 0.750000 Tl\n0.499726 0.045768 0.250000 Cl\n-0.000274 0.454232 0.250000 Cl\n0.716694 0.283461 0.522847 Cl\n0.716694 0.283461 0.977153 Cl\n0.216694 0.216539 0.522847 Cl\n0.783305 0.783461 0.022847 Cl\n0.283306 0.716539 0.477153 Cl\n0.283306 0.716539 0.022847 Cl\n0.783305 0.783461 0.477153 Cl\n0.216694 0.216539 0.977153 Cl\n0.500273 0.954231 0.750000 Cl\n0.000274 0.545768 0.750000 Cl\n",
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}