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{
"id": "jvasp-29744",
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"structure_string": "Pb4 O6\n1.0\n4.810722 0.000000 -0.371021\n0.000000 4.826063 0.000000\n0.518091 0.000000 6.740282\nPb O\n4 6\ndirect\n0.249985 0.749999 -0.000034 Pb\n0.750015 0.250000 0.000035 Pb\n0.250007 0.250000 0.578913 Pb\n0.749993 0.749999 0.421087 Pb\n0.249896 0.749999 0.698287 O\n0.250104 0.250000 0.963630 O\n0.749895 0.749999 0.036370 O\n0.249933 0.749999 0.301643 O\n0.750103 0.250000 0.301713 O\n0.750066 0.250000 0.698357 O\n",
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{
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"structure_string": "Pb2 O2\n1.0\n4.046930 0.000000 0.000000\n0.000000 4.046930 0.000000\n0.000000 0.000000 5.051974\nPb O\n2 2\ndirect\n0.500000 0.000000 0.235799 Pb\n0.000000 0.500000 0.764200 Pb\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
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{
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"structure_string": "Pb4 O8\n1.0\n5.115109 0.000000 0.000000\n-0.000000 5.549576 0.000000\n0.000000 0.000000 6.010598\nPb O\n4 8\ndirect\n0.500000 0.750001 0.181936 Pb\n0.000000 0.250000 0.318065 Pb\n0.500000 0.250000 0.818065 Pb\n0.000000 0.750001 0.681936 Pb\n0.265038 0.430514 0.091544 O\n0.765038 0.569487 0.408456 O\n0.234962 0.930514 0.408456 O\n0.734963 0.069487 0.091544 O\n0.265038 0.930514 0.908456 O\n0.765038 0.069487 0.591544 O\n0.234962 0.430514 0.591544 O\n0.734963 0.569487 0.908456 O\n",
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"elements": [
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"density": 9.311844324383182,
"density_atomic": 0.07033133603850235,
"volume": 170.62095896245583,
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"formula_full": "Pb4 O8",
"formula_reduced": "PbO2",
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"spacegroup": 60
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{
"id": "jvasp-260",
"created_at": "2022-09-04T14:36:46.058516Z",
"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",
"nsites": 4,
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"elements": [
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"volume": 106.97091578383449,
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"formula_reduced": "PbS",
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"spacegroup": 225
},
{
"id": "jvasp-36357",
"created_at": "2022-09-04T14:36:44.319354Z",
"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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"elements": [
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"volume": 53.92445638751335,
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"energy_above_hull": 0.4619104099999999,
"spacegroup": 187
},
{
"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",
"nsites": 4,
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"elements": [
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"volume": 106.9571820978135,
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{
"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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"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",
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"elements": [
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"density_atomic": 0.036333792645723534,
"volume": 110.0903513982815,
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"spacegroup": 186
},
{
"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",
"nsites": 4,
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"elements": [
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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",
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"spacegroup": 12
},
{
"id": "jvasp-254",
"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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{
"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",
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}