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{
"id": "jvasp-116625",
"created_at": "2022-09-04T14:38:43.913537Z",
"updated_at": "2022-09-04T14:38:43.913553Z",
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{
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"structure_string": "Mo1 W3 S8\n1.0\n3.192974 -0.000000 0.000000\n-1.596488 2.765186 -0.000340\n0.000000 -0.003610 32.331304\nMo W S\n1 3 8\ndirect\n0.666236 0.332476 0.278893 Mo\n0.333242 0.666485 0.085386 W\n0.333700 0.667401 0.472092 W\n0.666821 0.333644 0.666545 W\n0.332976 0.665956 0.327332 S\n0.333586 0.667175 0.715236 S\n0.666554 0.333108 0.036697 S\n0.666969 0.333939 0.423362 S\n0.666638 0.333279 0.134117 S\n0.667068 0.334137 0.520829 S\n0.332835 0.665672 0.230451 S\n0.333367 0.666736 0.617810 S\n",
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{
"id": "jvasp-8551",
"created_at": "2022-09-04T14:37:01.416576Z",
"updated_at": "2022-09-04T14:37:01.416598Z",
"structure_string": "Th1 Ni1 Sn1\n1.0\n4.032115 0.000000 2.327942\n1.344039 3.801514 2.327942\n-0.000000 -0.000000 4.655885\nTh Ni Sn\n1 1 1\ndirect\n0.750001 0.749999 0.749998 Th\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.249999 Sn\n",
"nsites": 3,
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"volume": 71.36606465625762,
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"formula_full": "Th1 Ni1 Sn1",
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"spacegroup": 216
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{
"id": "jvasp-18230",
"created_at": "2022-09-04T14:38:07.578491Z",
"updated_at": "2022-09-04T14:38:07.578514Z",
"structure_string": "Cr2 Sb4\n1.0\n3.478650 0.000000 0.000000\n0.000000 5.952304 0.000000\n0.000000 0.000000 6.893285\nCr Sb\n2 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.183805 0.362476 Sb\n0.000000 0.816194 0.637523 Sb\n0.500000 0.683805 0.137524 Sb\n0.500000 0.316195 0.862476 Sb\n",
"nsites": 6,
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"volume": 142.73223726503102,
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"formula_full": "Cr2 Sb4",
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},
{
"id": "jvasp-123189",
"created_at": "2022-09-04T14:38:55.533605Z",
"updated_at": "2022-09-04T14:38:55.533632Z",
"structure_string": "Er3 C1\n1.0\n3.525180 0.000000 0.000000\n-1.762590 3.052895 0.000000\n-0.000000 -0.000000 8.841915\nEr C\n3 1\ndirect\n0.333334 0.666668 0.150977 Er\n0.000000 0.000000 0.500000 Er\n0.666667 0.333334 0.849022 Er\n0.000000 0.000000 0.000000 C\n",
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},
{
"id": "jvasp-4198",
"created_at": "2022-09-04T14:38:06.969452Z",
"updated_at": "2022-09-04T14:38:06.969476Z",
"structure_string": "Co1 Br2\n1.0\n1.837602 -3.182820 0.000000\n1.837602 3.182820 0.000000\n0.000000 0.000000 6.101241\nCo Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.333332 0.666666 0.762173 Br\n0.666666 0.333332 0.237827 Br\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:36:14.762450Z",
"updated_at": "2022-09-04T14:36:14.762474Z",
"structure_string": "Sr2 Cu1 S2 Cl2\n1.0\n4.405356 -0.004299 -7.377230\n-0.338915 4.392302 -7.377230\n0.003984 0.004299 8.592477\nSr Cu S Cl\n2 1 2 2\ndirect\n0.374283 0.374283 -0.000000 Sr\n0.625717 0.625717 -0.000000 Sr\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 0.500000 S\n-0.000001 0.500000 0.499999 S\n0.189565 0.189565 -0.000000 Cl\n0.810435 0.810434 -0.000001 Cl\n",
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"density_atomic": 0.042034816429111575,
"volume": 166.52862066865336,
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"formula_full": "Sr2 Cu1 S2 Cl2",
"formula_reduced": "Sr2Cu(SCl)2",
"formula_anonymous": "AB2C2D2",
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"spacegroup": 139
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{
"id": "jvasp-39963",
"created_at": "2022-09-04T14:37:54.137416Z",
"updated_at": "2022-09-04T14:37:54.137433Z",
"structure_string": "Ca1 Sm1 Zn2\n1.0\n0.000022 3.623637 3.623637\n3.623637 0.000022 3.623637\n3.623637 3.623637 0.000022\nCa Sm Zn\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750002 0.750002 0.750002 Sm\n0.999984 0.999984 0.999984 Zn\n0.500017 0.500017 0.500017 Zn\n",
"nsites": 4,
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{
"id": "jvasp-35065",
"created_at": "2022-09-04T14:37:41.209392Z",
"updated_at": "2022-09-04T14:37:41.209422Z",
"structure_string": "Sm2 Sb2 Pd2\n1.0\n2.296088 -3.976941 -0.000000\n2.296088 3.976941 0.000000\n0.000000 -0.000000 7.816053\nSm Sb Pd\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.333334 0.666667 0.250000 Sb\n0.666667 0.333334 0.750000 Sb\n0.333334 0.666667 0.750000 Pd\n0.666667 0.333334 0.250000 Pd\n",
"nsites": 6,
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"formula_full": "Sm2 Sb2 Pd2",
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},
{
"id": "jvasp-111025",
"created_at": "2022-09-04T14:38:36.318741Z",
"updated_at": "2022-09-04T14:38:36.318763Z",
"structure_string": "Mn1 Zn4 Se5\n1.0\n6.213289 0.001160 3.313219\n4.883193 3.841794 3.313219\n-0.007371 -0.002553 9.964842\nMn Zn Se\n1 4 5\ndirect\n0.000976 0.000977 0.998997 Mn\n0.600690 0.600689 0.596355 Zn\n0.199040 0.199039 0.201314 Zn\n0.801672 0.801671 0.799068 Zn\n0.398121 0.398120 0.403375 Zn\n0.798869 0.798868 0.551782 Se\n0.397247 0.397246 0.154989 Se\n0.001666 0.001667 0.745941 Se\n0.598775 0.598774 0.348908 Se\n0.202946 0.202947 0.949270 Se\n",
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"volume": 237.91113622502996,
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},
{
"id": "jvasp-105162",
"created_at": "2022-09-04T14:36:59.357403Z",
"updated_at": "2022-09-04T14:36:59.357420Z",
"structure_string": "Er2 Ag1 Hg1\n1.0\n4.438180 -0.000000 2.562385\n1.479393 4.184357 2.562385\n-0.000000 -0.000000 5.124769\nEr Ag Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.749999 0.750001 0.749999 Er\n0.499999 0.500000 0.499999 Ag\n0.000000 0.000000 0.000000 Hg\n",
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},
{
"id": "jvasp-85739",
"created_at": "2022-09-04T14:35:47.281780Z",
"updated_at": "2022-09-04T14:35:47.281805Z",
"structure_string": "Sm3 In3 Pt3\n1.0\n8.315379 -1.876837 -1.197191\n-6.014712 7.954258 -0.059171\n-0.496587 -0.350102 4.040340\nSm In Pt\n3 3 3\ndirect\n-0.034962 0.672233 0.649289 Sm\n0.690232 -0.000003 0.011620 Sm\n0.289964 0.234980 -0.188160 Sm\n0.085070 0.417428 0.709021 In\n0.550962 0.642238 0.442170 In\n0.429987 0.075932 0.381713 In\n-0.053160 -0.108819 0.140154 Pt\n0.754050 0.347777 0.043636 Pt\n0.287858 0.718234 0.310561 Pt\n",
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}