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{
"id": "jvasp-19678",
"created_at": "2022-09-04T14:37:46.199277Z",
"updated_at": "2022-09-04T14:37:46.199298Z",
"structure_string": "Sr2 Pt4\n1.0\n4.819469 0.000000 2.782522\n1.606489 4.543839 2.782522\n-0.000000 -0.000000 5.565043\nSr Pt\n2 4\ndirect\n0.875000 0.875000 0.874999 Sr\n0.125000 0.125000 0.125000 Sr\n0.500000 0.500000 0.499999 Pt\n0.500000 0.500000 -0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n",
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{
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"created_at": "2022-09-04T14:37:17.805754Z",
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"structure_string": "Sr1 Y1 Pt2\n1.0\n-9.435840 -0.000000 -5.447785\n-6.203165 -0.511561 -0.151373\n-4.971850 2.971125 -2.284074\nSr Y Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500001 -0.000001 -0.000000 Y\n0.737533 -0.000001 -0.000000 Pt\n0.262468 -0.000000 -0.000000 Pt\n",
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{
"id": "jvasp-77213",
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"updated_at": "2022-09-04T14:37:58.776356Z",
"structure_string": "Sr1 Y1 Pt2\n1.0\n-9.534908 -0.000000 -5.504982\n-6.195585 -1.343199 -0.278896\n-4.610308 3.140643 -3.024676\nSr Y Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.000000 Y\n0.738493 0.000001 0.000000 Pt\n0.261506 0.000000 0.000000 Pt\n",
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"elements": [
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"density": 9.998385314951516,
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"volume": 94.11692459179079,
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"spacegroup": 71
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{
"id": "jvasp-108890",
"created_at": "2022-09-04T14:38:27.864962Z",
"updated_at": "2022-09-04T14:38:27.864990Z",
"structure_string": "Sr2 Zn1 Pt1\n1.0\n4.587932 -0.000000 2.648844\n1.529311 4.325544 2.648844\n-0.000000 -0.000000 5.297688\nSr Zn Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.749999 0.750000 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"Zn",
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],
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"density": 6.882171102149936,
"density_atomic": 0.03804660480236649,
"volume": 105.13421685793107,
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"formula_full": "Sr2 Zn1 Pt1",
"formula_reduced": "Sr2ZnPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102689",
"created_at": "2022-09-04T14:36:40.303212Z",
"updated_at": "2022-09-04T14:36:40.303247Z",
"structure_string": "Pt1 Se1 S1\n1.0\n3.697735 0.000000 0.000000\n-1.848867 3.202333 0.000000\n0.000000 0.000000 5.064811\nPt Se S\n1 1 1\ndirect\n0.333333 0.666666 0.008531 Pt\n0.000000 0.000000 0.743947 Se\n0.666667 0.333333 0.247522 S\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Pt-S-Se",
"density": 8.475389724796482,
"density_atomic": 0.050021387743797545,
"volume": 59.9743456812029,
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"formula_full": "Pt1 Se1 S1",
"formula_reduced": "PtSeS",
"formula_anonymous": "ABC",
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"spacegroup": 156
},
{
"id": "jvasp-4630",
"created_at": "2022-09-04T14:36:53.303017Z",
"updated_at": "2022-09-04T14:36:53.303026Z",
"structure_string": "Tl2 Pt4 S6\n1.0\n3.596844 -6.229916 0.000000\n3.596844 6.229916 0.000000\n-0.000000 0.000000 5.932069\nTl Pt S\n2 4 6\ndirect\n0.666667 0.333332 0.623707 Tl\n0.333332 0.666667 0.376294 Tl\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 -0.000000 Pt\n-0.000000 0.500000 -0.000000 Pt\n0.500000 -0.000000 0.000000 Pt\n0.830417 0.660836 0.199038 S\n0.339163 0.169582 0.199038 S\n0.830418 0.169581 0.199038 S\n0.169581 0.830418 0.800962 S\n0.169582 0.339163 0.800962 S\n0.660836 0.830417 0.800962 S\n",
"nsites": 12,
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"elements": [
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"density": 8.628944536746106,
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"volume": 265.85203123623984,
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"formula_full": "Tl2 Pt4 S6",
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"spacegroup": 164
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{
"id": "jvasp-109076",
"created_at": "2022-09-04T14:37:49.915232Z",
"updated_at": "2022-09-04T14:37:49.915247Z",
"structure_string": "Ta3 Pt1\n1.0\n4.119353 -0.000000 0.000000\n0.000000 4.119353 0.000000\n-0.000000 -0.000000 4.119353\nTa Pt\n3 1\ndirect\n-0.000000 0.500000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.500000 0.500000 -0.000000 Ta\n0.000000 0.000000 0.000000 Pt\n",
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"elements": [
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"formula_full": "Ta3 Pt1",
"formula_reduced": "Ta3Pt",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-105864",
"created_at": "2022-09-04T14:36:02.186182Z",
"updated_at": "2022-09-04T14:36:02.186200Z",
"structure_string": "Ta3 Pt1\n1.0\n3.993776 -0.000000 2.305807\n1.331259 3.765368 2.305807\n0.000000 0.000000 4.611615\nTa Pt\n3 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750001 0.750000 0.750001 Ta\n0.500001 0.500000 0.500001 Ta\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"formula_reduced": "Ta3Pt",
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"spacegroup": 225
},
{
"id": "jvasp-18781",
"created_at": "2022-09-04T14:37:05.587244Z",
"updated_at": "2022-09-04T14:37:05.587256Z",
"structure_string": "Ta2 Pt6\n1.0\n4.617653 0.000000 0.000000\n0.000000 4.932377 0.000000\n0.000000 0.000000 5.608711\nTa Pt\n2 6\ndirect\n0.500000 0.660626 0.500000 Ta\n0.000000 0.339375 0.000000 Ta\n0.000000 0.833925 0.250171 Pt\n0.500000 0.166075 0.249829 Pt\n0.000000 0.833925 0.749828 Pt\n0.500000 0.166075 0.750171 Pt\n0.000000 0.342786 0.500000 Pt\n0.500000 0.657215 0.000000 Pt\n",
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"elements": [
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"volume": 127.74403231009883,
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"formula_full": "Ta2 Pt6",
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"spacegroup": 59
},
{
"id": "jvasp-18780",
"created_at": "2022-09-04T14:37:03.768794Z",
"updated_at": "2022-09-04T14:37:03.768822Z",
"structure_string": "Ta2 Pt4\n1.0\n4.809892 -0.000000 0.000000\n0.000000 4.207591 -2.395969\n0.000000 -0.003794 4.885824\nTa Pt\n2 4\ndirect\n0.750000 0.233188 -0.000000 Ta\n0.250000 0.766812 -0.000000 Ta\n0.250000 0.113681 0.676365 Pt\n0.750000 0.886320 0.323634 Pt\n0.750000 0.562687 0.676365 Pt\n0.250000 0.437314 0.323634 Pt\n",
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"spacegroup": 63
},
{
"id": "jvasp-13990",
"created_at": "2022-09-04T14:36:04.566853Z",
"updated_at": "2022-09-04T14:36:04.566867Z",
"structure_string": "Ta2 Te10 Pt2\n1.0\n3.782283 0.000000 0.000000\n-1.891142 6.802384 -0.000000\n0.000000 0.000000 15.687891\nTa Te Pt\n2 10 2\ndirect\n0.489007 0.978013 0.750000 Ta\n0.510992 0.021987 0.250000 Ta\n0.831653 0.663308 0.750000 Te\n0.168346 0.336691 0.250000 Te\n0.609490 0.218981 0.080384 Te\n0.390509 0.781018 0.919616 Te\n0.100391 0.200783 0.851399 Te\n0.899608 0.799217 0.148601 Te\n0.899608 0.799217 0.351399 Te\n0.100391 0.200783 0.648601 Te\n0.609490 0.218981 0.419616 Te\n0.390509 0.781018 0.580384 Te\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
"nsites": 14,
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"elements": [
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],
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"volume": 403.62655248658984,
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"formula_full": "Ta2 Te10 Pt2",
"formula_reduced": "TaTe5Pt",
"formula_anonymous": "ABC5",
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},
{
"id": "jvasp-40825",
"created_at": "2022-09-04T14:37:38.987795Z",
"updated_at": "2022-09-04T14:37:38.987808Z",
"structure_string": "Ta1 Tl1 Pt1\n1.0\n3.867810 0.000000 2.233081\n1.289270 3.646606 2.233081\n0.000000 0.000000 4.466163\nTa Tl Pt\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500001 0.499999 Tl\n0.250000 0.250000 0.250000 Pt\n",
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"formula_full": "Ta1 Tl1 Pt1",
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}
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