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{
"id": "jvasp-19901",
"created_at": "2022-09-04T14:36:58.655879Z",
"updated_at": "2022-09-04T14:36:58.655904Z",
"structure_string": "Th1 P1\n1.0\n3.598143 0.000000 2.077389\n1.199381 3.392362 2.077389\n0.000000 0.000000 4.154778\nTh P\n1 1\ndirect\n0.500000 0.500000 0.500001 Th\n0.000000 0.000000 0.000000 P\n",
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{
"id": "jvasp-80723",
"created_at": "2022-09-04T14:37:03.902446Z",
"updated_at": "2022-09-04T14:37:03.902466Z",
"structure_string": "B2 Pt2\n1.0\n-1.617491 -2.801755 0.000000\n-1.617491 2.801755 -0.000000\n0.000000 -0.000000 -5.260468\nB Pt\n2 2\ndirect\n0.666688 0.333311 0.750000 B\n0.333311 0.666688 0.250000 B\n0.000000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
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{
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"created_at": "2022-09-04T14:37:04.172753Z",
"updated_at": "2022-09-04T14:37:04.172779Z",
"structure_string": "Pb2 S2\n1.0\n4.218599 0.022231 -0.255217\n-0.037344 4.218492 -0.255217\n-0.210308 -0.213299 21.485168\nPb S\n2 2\ndirect\n0.716151 0.736157 0.932933 Pb\n0.263842 0.283849 0.067067 Pb\n0.218688 0.239281 0.941156 S\n0.760719 0.781311 0.058843 S\n",
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"volume": 381.9136826944907,
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"formula_full": "Pb2 S2",
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"spacegroup": 12
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{
"id": "jvasp-14985",
"created_at": "2022-09-04T14:37:03.207636Z",
"updated_at": "2022-09-04T14:37:03.207661Z",
"structure_string": "Dy2 Si2\n1.0\n3.843564 0.000000 0.000000\n0.000000 3.968116 -1.608838\n0.000000 -0.003630 5.689042\nDy Si\n2 2\ndirect\n0.250000 0.859517 0.719034 Dy\n0.749999 0.140484 0.280966 Dy\n0.250000 0.577598 0.155195 Si\n0.749999 0.422403 0.844805 Si\n",
"nsites": 4,
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"density_atomic": 0.04611208303539724,
"volume": 86.74515954808332,
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"formula_full": "Dy2 Si2",
"formula_reduced": "DySi",
"formula_anonymous": "AB",
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"spacegroup": 63
},
{
"id": "jvasp-7784",
"created_at": "2022-09-04T14:37:05.190248Z",
"updated_at": "2022-09-04T14:37:05.190265Z",
"structure_string": "Li2 C2\n1.0\n3.216099 0.000000 1.615259\n1.430055 3.567921 1.162029\n-0.003115 -0.023998 4.015575\nLi C\n2 2\ndirect\n0.762298 0.737704 0.737705 Li\n0.237706 0.262295 0.262295 Li\n0.000002 0.869584 0.130415 C\n0.000002 0.130415 0.869585 C\n",
"nsites": 4,
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"elements": [
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"density": 1.364404449987143,
"density_atomic": 0.08671133095429381,
"volume": 46.1300726903665,
"volume_molar": 6.945044775260473,
"formula_full": "Li2 C2",
"formula_reduced": "LiC",
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"spacegroup": 71
},
{
"id": "jvasp-1267",
"created_at": "2022-09-04T14:36:58.972918Z",
"updated_at": "2022-09-04T14:36:58.972937Z",
"structure_string": "Ba1 Te1\n1.0\n4.309558 0.000000 2.488124\n1.436519 4.063090 2.488124\n0.000000 0.000000 4.976248\nBa Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.499999 Te\n",
"nsites": 2,
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"elements": [
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"Te"
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"density": 5.048753074968213,
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"volume": 87.13470965301823,
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"formula_full": "Ba1 Te1",
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"energy_above_hull": 0.0121299999999999,
"spacegroup": 225
},
{
"id": "jvasp-104924",
"created_at": "2022-09-04T14:36:56.185828Z",
"updated_at": "2022-09-04T14:36:56.185852Z",
"structure_string": "Sr1 Ca1\n1.0\n4.001410 0.593015 0.000000\n-0.605693 3.999510 0.000000\n-0.000000 -0.000000 5.642201\nSr Ca\n1 1\ndirect\n0.500001 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n",
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"elements": [
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"volume": 92.32256956173184,
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"formula_full": "Sr1 Ca1",
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"spacegroup": 123
},
{
"id": "jvasp-103702",
"created_at": "2022-09-04T14:36:54.603948Z",
"updated_at": "2022-09-04T14:36:54.603965Z",
"structure_string": "Li2 Si2\n1.0\n3.847426 0.000000 2.221312\n1.282475 3.627388 2.221312\n0.000000 0.000000 4.442625\nLi Si\n2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.250001 0.250000 0.249999 Li\n0.750002 0.750000 0.749997 Si\n0.500001 0.500000 0.499998 Si\n",
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"elements": [
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"volume": 62.00174943121984,
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"spacegroup": 227
},
{
"id": "jvasp-79632",
"created_at": "2022-09-04T14:37:04.728103Z",
"updated_at": "2022-09-04T14:37:04.728127Z",
"structure_string": "Ti2 Ni2\n1.0\n2.946189 0.002071 0.000000\n0.000000 0.000000 3.985673\n-1.468185 -4.687834 0.000000\nTi Ni\n2 2\ndirect\n0.357277 0.250000 0.714281 Ti\n0.642722 0.749999 0.285718 Ti\n0.086082 0.250000 0.172433 Ni\n0.913916 0.749999 0.827566 Ni\n",
"nsites": 4,
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"elements": [
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"spacegroup": 63
},
{
"id": "jvasp-102688",
"created_at": "2022-09-04T14:36:58.975349Z",
"updated_at": "2022-09-04T14:36:58.975383Z",
"structure_string": "Pt1 W1\n1.0\n2.696295 0.004550 4.094684\n1.230460 2.399165 4.094684\n0.007433 0.004550 4.902692\nPt W\n1 1\ndirect\n0.000000 0.000000 0.000000 Pt\n0.499998 0.500001 0.500000 W\n",
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"density": 19.920052136928643,
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"volume": 31.58717160713987,
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"formula_full": "Pt1 W1",
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"spacegroup": 166
},
{
"id": "jvasp-8590",
"created_at": "2022-09-04T14:37:04.231969Z",
"updated_at": "2022-09-04T14:37:04.232000Z",
"structure_string": "Rb1 I1\n1.0\n4.377275 0.000000 -0.000000\n-0.000000 4.377275 0.000000\n0.000000 0.000000 4.377275\nRb I\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500001 0.500001 I\n",
"nsites": 2,
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"formula_full": "Rb1 I1",
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{
"id": "jvasp-8184",
"created_at": "2022-09-04T14:37:04.237464Z",
"updated_at": "2022-09-04T14:37:04.237477Z",
"structure_string": "Ga2 P2\n1.0\n1.937115 -3.355182 0.000000\n1.937115 3.355182 0.000000\n0.000000 -0.000000 6.395898\nGa P\n2 2\ndirect\n0.666668 0.333334 0.500185 Ga\n0.333334 0.666668 0.000185 Ga\n0.666668 0.333334 0.873815 P\n0.333334 0.666668 0.373815 P\n",
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