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{
"id": "jvasp-260",
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"updated_at": "2022-09-04T14:36:46.058535Z",
"structure_string": "Pb2 S2\n1.0\n4.245470 0.011778 -0.000000\n-0.012305 4.245469 0.000000\n-0.000000 -0.000000 5.934864\nPb S\n2 2\ndirect\n0.260472 0.760473 0.750057 Pb\n0.760473 0.260474 0.249943 Pb\n0.760527 0.260527 0.749939 S\n0.260526 0.760527 0.250060 S\n",
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{
"id": "jvasp-36357",
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"updated_at": "2022-09-04T14:36:44.319381Z",
"structure_string": "Pb1 S1\n1.0\n2.024092 -3.505830 0.000000\n2.024092 3.505830 -0.000000\n-0.000000 0.000000 3.799572\nPb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pb\n0.333333 0.666667 0.500000 S\n",
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{
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"created_at": "2022-09-04T14:37:16.895564Z",
"updated_at": "2022-09-04T14:37:16.895585Z",
"structure_string": "Pb1 S1\n1.0\n3.664950 0.000000 2.115960\n1.221650 3.455348 2.115960\n0.000000 0.000000 4.231920\nPb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 S\n",
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"formula_full": "Pb1 S1",
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},
{
"id": "jvasp-79645",
"created_at": "2022-09-04T14:37:17.873303Z",
"updated_at": "2022-09-04T14:37:17.873324Z",
"structure_string": "Pb2 S2\n1.0\n2.997403 2.979813 -0.215010\n2.997403 -2.979813 -0.215010\n0.854697 0.000000 -6.243965\nPb S\n2 2\ndirect\n0.212585 0.212585 0.234058 Pb\n0.787414 0.787414 0.765943 Pb\n0.691181 0.691181 0.212805 S\n0.308818 0.308818 0.787195 S\n",
"nsites": 4,
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"elements": [
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"volume": 110.44325874999116,
"volume_molar": 16.62762125463871,
"formula_full": "Pb2 S2",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
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"spacegroup": 12
},
{
"id": "jvasp-17941",
"created_at": "2022-09-04T14:38:13.889494Z",
"updated_at": "2022-09-04T14:38:13.889521Z",
"structure_string": "Pb1 S1\n1.0\n3.642809 0.000000 0.000000\n0.000000 3.642809 0.000000\n-0.000000 -0.000000 3.642809\nPb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 S\n",
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"elements": [
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"volume": 48.34028456541689,
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"formula_full": "Pb1 S1",
"formula_reduced": "PbS",
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"energy_above_hull": 0.5152254099999999,
"spacegroup": 221
},
{
"id": "jvasp-28356",
"created_at": "2022-09-04T14:35:58.036488Z",
"updated_at": "2022-09-04T14:35:58.036518Z",
"structure_string": "Pb2 S2\n1.0\n4.122223 0.000000 0.000000\n-2.061112 3.569886 0.000000\n0.000000 0.000000 7.481065\nPb S\n2 2\ndirect\n-0.000003 -0.000005 0.480580 Pb\n0.000003 0.000005 0.980580 Pb\n0.333329 0.666659 0.698619 S\n0.666671 0.333342 0.198620 S\n",
"nsites": 4,
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"density": 7.21786922693483,
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"volume": 110.0903513982815,
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"formula_full": "Pb2 S2",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.4289354099999999,
"spacegroup": 186
},
{
"id": "jvasp-91537",
"created_at": "2022-09-04T14:36:21.017149Z",
"updated_at": "2022-09-04T14:36:21.017182Z",
"structure_string": "Pb4 S4\n1.0\n4.099677 0.000000 0.000000\n0.000000 5.647366 5.419833\n0.000000 -5.647366 5.419833\nPb S\n4 4\ndirect\n0.000000 0.344968 0.675264 Pb\n0.000000 0.675264 0.344968 Pb\n0.500000 0.138955 0.138955 Pb\n0.000000 0.825621 0.825621 Pb\n0.500000 0.106776 0.767213 S\n0.500000 0.767213 0.106776 S\n0.000000 0.317769 0.317769 S\n0.500000 0.627633 0.627633 S\n",
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"formula_full": "Pb4 S4",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.50386541,
"spacegroup": 38
},
{
"id": "jvasp-28369",
"created_at": "2022-09-04T14:35:52.010636Z",
"updated_at": "2022-09-04T14:35:52.010661Z",
"structure_string": "Pb2 S2\n1.0\n-4.157335 0.000000 0.000000\n0.000000 0.000000 -4.305497\n-2.078668 -5.919289 -0.000000\nPb S\n2 2\ndirect\n0.128724 0.750001 0.742553 Pb\n0.871278 0.250000 0.257447 Pb\n0.358258 0.750001 0.283487 S\n0.641744 0.250000 0.716513 S\n",
"nsites": 4,
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"elements": [
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"spacegroup": 63
},
{
"id": "jvasp-13762",
"created_at": "2022-09-04T14:38:06.788530Z",
"updated_at": "2022-09-04T14:38:06.788547Z",
"structure_string": "Pb2 S2\n1.0\n4.245356 0.012034 -0.000000\n-0.012048 4.245357 -0.000000\n-0.000000 0.000000 5.934369\nPb S\n2 2\ndirect\n0.260559 0.760560 0.750057 Pb\n0.760560 0.260559 0.249943 Pb\n0.760441 0.260440 0.749962 S\n0.260441 0.760441 0.250038 S\n",
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"energy_above_hull": 0.38907541,
"spacegroup": 225
},
{
"id": "jvasp-79657",
"created_at": "2022-09-04T14:36:44.193319Z",
"updated_at": "2022-09-04T14:36:44.193344Z",
"structure_string": "Pb2 S2\n1.0\n3.001894 3.001943 -0.017179\n3.001894 -3.001943 -0.017179\n-0.033560 -0.000000 -5.934281\nPb S\n2 2\ndirect\n0.249849 0.249849 0.750002 Pb\n0.750150 0.750150 0.249999 Pb\n0.749891 0.749891 0.749983 S\n0.250108 0.250108 0.250017 S\n",
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"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.3890804099999998,
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},
{
"id": "jvasp-78355",
"created_at": "2022-09-04T14:37:56.318323Z",
"updated_at": "2022-09-04T14:37:56.318347Z",
"structure_string": "Pb1 S1\n1.0\n-3.734257 0.000000 1.990140\n-2.397442 3.486774 0.000000\n-3.590441 0.098885 -2.238517\nPb S\n1 1\ndirect\n0.977916 0.977914 0.066255 Pb\n0.477684 0.477683 0.566947 S\n",
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},
{
"id": "jvasp-35680",
"created_at": "2022-09-04T14:37:32.710692Z",
"updated_at": "2022-09-04T14:37:32.710708Z",
"structure_string": "Pb2 S2\n1.0\n2.062270 -3.571957 -0.000000\n2.062270 3.571957 0.000000\n0.000000 0.000000 7.369616\nPb S\n2 2\ndirect\n0.000000 0.000000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.333333 0.666667 0.250000 S\n0.666667 0.333333 0.750000 S\n",
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}