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{
"id": "jvasp-12181",
"created_at": "2022-09-04T14:36:54.159751Z",
"updated_at": "2022-09-04T14:36:54.159786Z",
"structure_string": "As8 Se12\n1.0\n4.265343 0.000000 -0.035923\n0.000000 10.012198 0.000000\n-0.001951 0.000000 12.304335\nAs Se\n8 12\ndirect\n0.100408 0.805087 0.737444 As\n0.399592 0.305087 0.762557 As\n0.899591 0.194913 0.262557 As\n0.600408 0.694913 0.237444 As\n0.609856 0.673823 0.512400 As\n0.890143 0.173823 0.987601 As\n0.390143 0.326177 0.487600 As\n0.109857 0.826177 0.012400 As\n0.056124 0.202685 0.620115 Se\n0.443876 0.702685 0.879886 Se\n0.474896 0.911595 0.155355 Se\n0.025104 0.411595 0.344646 Se\n0.525103 0.088406 0.844646 Se\n0.027724 0.383894 0.901434 Se\n0.972275 0.616106 0.098566 Se\n0.527724 0.116106 0.401434 Se\n0.556123 0.297315 0.120115 Se\n0.472276 0.883894 0.598566 Se\n0.974896 0.588406 0.655355 Se\n0.943876 0.797315 0.379886 Se\n",
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{
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"structure_string": "Y2 Te6\n1.0\n4.350133 0.000000 0.000000\n0.000000 -0.000000 4.351234\n-2.175066 -12.933007 0.000000\nY Te\n2 6\ndirect\n0.170373 0.250000 0.340749 Y\n0.829625 0.749999 0.659252 Y\n0.926719 0.250000 0.853441 Te\n0.073279 0.749999 0.146559 Te\n0.573354 0.250000 0.146708 Te\n0.426645 0.749999 0.853292 Te\n0.294025 0.250000 0.588052 Te\n0.705974 0.749999 0.411948 Te\n",
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{
"id": "jvasp-12183",
"created_at": "2022-09-04T14:37:01.020880Z",
"updated_at": "2022-09-04T14:37:01.020908Z",
"structure_string": "V1 Br2\n1.0\n3.816678 0.000000 0.000000\n-1.908340 3.305381 0.000114\n0.000000 0.000144 6.065170\nV Br\n1 2\ndirect\n0.999966 -0.000000 -0.000000 V\n0.333284 0.666637 0.239514 Br\n0.666647 0.333361 0.760486 Br\n",
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"spacegroup": 164
},
{
"id": "jvasp-12184",
"created_at": "2022-09-04T14:37:04.227823Z",
"updated_at": "2022-09-04T14:37:04.227849Z",
"structure_string": "Si2 Sb6\n1.0\n6.625442 0.000000 0.000000\n-3.312721 5.737801 -0.000000\n0.000000 0.000000 5.432452\nSi Sb\n2 6\ndirect\n0.333334 0.666668 0.750000 Si\n0.666665 0.333332 0.250001 Si\n0.177496 0.354993 0.250001 Sb\n0.645005 0.822503 0.250001 Sb\n0.177496 0.822503 0.250001 Sb\n0.822503 0.645007 0.750000 Sb\n0.354994 0.177497 0.750000 Sb\n0.822502 0.177497 0.750000 Sb\n",
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"elements": [
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{
"id": "jvasp-12185",
"created_at": "2022-09-04T14:36:59.983169Z",
"updated_at": "2022-09-04T14:36:59.983196Z",
"structure_string": "Sb6 Pb2\n1.0\n6.818671 -0.000000 -0.000000\n-3.409336 5.905142 0.000000\n0.000000 0.000000 5.778827\nSb Pb\n6 2\ndirect\n0.164102 0.328205 0.249999 Sb\n0.671794 0.835897 0.249999 Sb\n0.164102 0.835897 0.249999 Sb\n0.835898 0.671796 0.749999 Sb\n0.328205 0.164102 0.749999 Sb\n0.835897 0.164102 0.749999 Sb\n0.333333 0.666667 0.749999 Pb\n0.666666 0.333333 0.249999 Pb\n",
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{
"id": "jvasp-12186",
"created_at": "2022-09-04T14:37:05.175055Z",
"updated_at": "2022-09-04T14:37:05.175079Z",
"structure_string": "Si8 As16\n1.0\n15.011172 0.000000 0.000000\n0.000000 10.242490 0.000000\n0.000000 0.000000 3.711829\nSi As\n8 16\ndirect\n0.264886 0.196155 0.500001 Si\n0.735115 0.803844 0.500001 Si\n0.764885 0.303845 0.500001 Si\n0.235115 0.696155 0.500001 Si\n0.143661 0.413529 0.000000 Si\n0.856340 0.586470 0.000000 Si\n0.643660 0.086470 0.000000 Si\n0.356339 0.913529 0.000000 Si\n0.704909 0.658886 0.000000 As\n0.295090 0.341115 0.000000 As\n0.106712 0.553566 0.500001 As\n0.893288 0.446433 0.500001 As\n0.606711 0.946432 0.500001 As\n0.393288 0.053567 0.500001 As\n0.458439 0.730551 0.000000 As\n0.386575 0.600467 0.500001 As\n0.958439 0.769449 0.000000 As\n0.041561 0.230551 0.000000 As\n0.795090 0.158886 0.000000 As\n0.613424 0.399533 0.500001 As\n0.886576 0.899534 0.500001 As\n0.113424 0.100467 0.500001 As\n0.541560 0.269450 0.000000 As\n0.204910 0.841114 0.000000 As\n",
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"spacegroup": 55
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{
"id": "jvasp-12187",
"created_at": "2022-09-04T14:36:38.387428Z",
"updated_at": "2022-09-04T14:36:38.387458Z",
"structure_string": "Si2 As6\n1.0\n6.055525 -0.000000 -0.000000\n-3.027763 5.244238 -0.000000\n-0.000000 0.000000 5.191670\nSi As\n2 6\ndirect\n0.333335 0.666667 0.750002 Si\n0.666669 0.333335 0.250002 Si\n0.189620 0.379238 0.250002 As\n0.620762 0.810380 0.250002 As\n0.189621 0.810380 0.250002 As\n0.810381 0.620760 0.750002 As\n0.379241 0.189620 0.750002 As\n0.810381 0.189620 0.750002 As\n",
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"formula_full": "Si2 As6",
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{
"id": "jvasp-12188",
"created_at": "2022-09-04T14:37:12.017311Z",
"updated_at": "2022-09-04T14:37:12.017333Z",
"structure_string": "Au2 Cl2 O4\n1.0\n-0.000000 0.000000 3.902282\n6.252017 0.245234 -0.000000\n-2.263439 5.833069 0.000000\nAu Cl O\n2 2 4\ndirect\n0.500000 0.266752 0.266752 Au\n0.000000 0.733248 0.733247 Au\n0.750000 0.639172 0.360827 Cl\n0.250000 0.360828 0.639172 Cl\n0.290036 0.798228 0.023134 O\n0.790036 0.201772 0.976865 O\n0.709963 0.023135 0.798228 O\n0.209963 0.976866 0.201772 O\n",
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{
"id": "jvasp-12189",
"created_at": "2022-09-04T14:37:07.399401Z",
"updated_at": "2022-09-04T14:37:07.399429Z",
"structure_string": "W2 O4\n1.0\n2.994627 -0.000000 -0.000000\n-1.497313 2.593422 0.000000\n0.000000 -0.000000 10.986907\nW O\n2 4\ndirect\n0.666668 0.333333 0.750000 W\n0.333334 0.666666 0.250000 W\n0.333334 0.666666 0.413273 O\n0.666668 0.333333 0.913273 O\n0.333334 0.666666 0.086728 O\n0.666668 0.333333 0.586728 O\n",
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{
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"structure_string": "Cu2 O2\n1.0\n2.929458 -0.034164 -0.042660\n0.038003 2.929478 -0.040387\n0.083379 0.076930 5.173064\nCu O\n2 2\ndirect\n-0.000000 0.500000 -0.000000 Cu\n0.500001 0.000001 0.500000 Cu\n0.000544 0.999485 0.249995 O\n0.999457 0.000518 0.750004 O\n",
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{
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"created_at": "2022-09-04T14:37:13.139553Z",
"updated_at": "2022-09-04T14:37:13.139577Z",
"structure_string": "Ti1 S2\n1.0\n6.522114 -0.454220 -0.269025\n5.862884 2.893245 -0.269025\n5.862884 1.154602 2.666484\nTi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.590865 0.590867 0.590863 S\n0.409134 0.409135 0.409132 S\n",
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{
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"structure_string": "Sn2 O4\n1.0\n3.117919 -0.000000 0.000000\n-1.558960 2.700198 -0.000000\n-0.000000 -0.000000 9.611267\nSn O\n2 4\ndirect\n0.666667 0.333333 0.750000 Sn\n0.333333 0.666668 0.250000 Sn\n0.333333 0.666668 0.622859 O\n0.666667 0.333333 0.122859 O\n0.333333 0.666668 -0.122859 O\n0.666667 0.333333 0.377141 O\n",
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}