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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4377",
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{
"id": "jvasp-90798",
"created_at": "2022-09-04T14:36:05.026653Z",
"updated_at": "2022-09-04T14:36:05.026679Z",
"structure_string": "Pb4 S4\n1.0\n0.000000 4.233305 -0.000000\n0.000000 -0.000000 4.233195\n11.975915 0.000000 0.000000\nPb S\n4 4\ndirect\n0.250000 0.250047 0.624985 Pb\n0.250000 0.249953 0.124985 Pb\n0.750001 0.749952 0.375015 Pb\n0.750001 0.750046 0.875015 Pb\n0.250000 0.250047 0.875021 S\n0.250000 0.249953 0.375022 S\n0.750001 0.749952 0.124979 S\n0.750001 0.750046 0.624980 S\n",
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"elements": [
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{
"id": "jvasp-91778",
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"structure_string": "Pb4 S4\n1.0\n0.000000 -4.027969 0.000000\n-5.885917 0.000000 0.688833\n-0.421169 0.000000 -10.027769\nPb S\n4 4\ndirect\n0.250000 0.761821 0.612396 Pb\n0.750000 0.238179 0.387604 Pb\n0.250000 0.234088 0.899660 Pb\n0.750000 0.765913 0.100341 Pb\n0.250000 0.741287 0.907177 S\n0.750000 0.258713 0.092824 S\n0.750000 0.068982 0.658284 S\n0.250000 0.931018 0.341717 S\n",
"nsites": 8,
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{
"id": "jvasp-91659",
"created_at": "2022-09-04T14:36:03.327050Z",
"updated_at": "2022-09-04T14:36:03.327077Z",
"structure_string": "Pb4 S4\n1.0\n4.001788 0.000000 0.000000\n0.000000 4.809970 6.248092\n0.000000 -4.809970 6.248092\nPb S\n4 4\ndirect\n0.000000 0.250864 0.704665 Pb\n0.000000 0.704665 0.250864 Pb\n0.500000 0.216961 0.216961 Pb\n0.000000 0.738208 0.738208 Pb\n0.500000 0.033746 0.607285 S\n0.500000 0.607285 0.033746 S\n0.000000 0.355716 0.355716 S\n0.500000 0.567554 0.567554 S\n",
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"elements": [
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"density": 6.607153646874759,
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"volume": 240.53255062895622,
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"formula_full": "Pb4 S4",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.5125354099999999,
"spacegroup": 38
},
{
"id": "jvasp-35319",
"created_at": "2022-09-04T14:37:33.608947Z",
"updated_at": "2022-09-04T14:37:33.608972Z",
"structure_string": "Pb2 S4\n1.0\n-3.083233 -3.083233 3.780668\n-3.083233 3.083233 -3.780668\n3.083233 -3.083233 -3.780668\nPb S\n2 4\ndirect\n0.000000 0.750000 0.750000 Pb\n0.000000 0.250000 0.250000 Pb\n0.259960 0.879979 0.379980 S\n0.740039 0.120020 0.620020 S\n0.500000 0.620021 0.879979 S\n0.500000 0.379979 0.120020 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"density_atomic": 0.04173592338123011,
"volume": 143.76104597456634,
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"formula_full": "Pb2 S4",
"formula_reduced": "PbS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0615036066666668,
"spacegroup": 140
},
{
"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",
"nsites": 4,
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"elements": [
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"density": 7.318661590389773,
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"volume": 108.57419074869107,
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"formula_full": "Pb2 S2",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
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"spacegroup": 194
},
{
"id": "jvasp-115387",
"created_at": "2022-09-04T14:38:46.140668Z",
"updated_at": "2022-09-04T14:38:46.140685Z",
"structure_string": "Pb2 S1\n1.0\n7.034471 0.489679 0.297615\n-3.283839 -4.640342 1.047511\n1.189800 1.993122 -3.359097\nPb S\n2 1\ndirect\n0.429019 0.492148 0.238743 Pb\n0.003532 0.566863 0.026392 Pb\n0.892593 0.956185 0.971225 S\n",
"nsites": 3,
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"elements": [
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"volume": 89.86615509401476,
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"formula_full": "Pb2 S1",
"formula_reduced": "Pb2S",
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"spacegroup": 38
},
{
"id": "jvasp-115393",
"created_at": "2022-09-04T14:38:43.781405Z",
"updated_at": "2022-09-04T14:38:43.781430Z",
"structure_string": "Pb2 S2\n1.0\n7.084387 -1.497015 0.692146\n3.497652 -6.168429 1.792722\n0.855816 2.399816 -3.393363\nPb S\n2 2\ndirect\n0.978109 -0.021941 0.011880 Pb\n0.478108 0.978115 0.511884 Pb\n0.477962 0.478334 0.011947 S\n-0.021949 0.478254 0.512165 S\n",
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"formula_full": "Pb2 S2",
"formula_reduced": "PbS",
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"energy_above_hull": 0.3969504099999998,
"spacegroup": 225
},
{
"id": "jvasp-115381",
"created_at": "2022-09-04T14:38:45.651798Z",
"updated_at": "2022-09-04T14:38:45.651828Z",
"structure_string": "Pb1 S1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nPb S\n1 1\ndirect\n0.000000 0.000000 0.874685 Pb\n0.000000 0.000000 0.125315 S\n",
"nsites": 2,
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"elements": [
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"volume": 580.8841193146079,
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"formula_full": "Pb1 S1",
"formula_reduced": "PbS",
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"spacegroup": 99
},
{
"id": "jvasp-115388",
"created_at": "2022-09-04T14:38:45.727682Z",
"updated_at": "2022-09-04T14:38:45.727691Z",
"structure_string": "Pb1 S2\n1.0\n3.999269 -0.005380 -0.479650\n1.585169 -6.746110 -2.071832\n0.000594 -2.209592 -3.358530\nPb S\n1 2\ndirect\n0.049778 0.918641 0.854614 Pb\n0.508206 0.231335 -0.000279 S\n0.592062 0.606144 0.708556 S\n",
"nsites": 3,
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"elements": [
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"formula_full": "Pb1 S2",
"formula_reduced": "PbS2",
"formula_anonymous": "AB2",
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"spacegroup": 12
},
{
"id": "jvasp-115384",
"created_at": "2022-09-04T14:38:45.691024Z",
"updated_at": "2022-09-04T14:38:45.691037Z",
"structure_string": "Pb2 S1\n1.0\n3.714744 0.000000 0.000000\n0.000000 3.418315 0.000000\n0.000000 0.000000 7.528191\nPb S\n2 1\ndirect\n-0.033328 0.000000 0.729954 Pb\n-0.033328 0.000000 0.270045 Pb\n0.466655 0.000000 0.000000 S\n",
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"spacegroup": 47
},
{
"id": "jvasp-115386",
"created_at": "2022-09-04T14:38:43.747309Z",
"updated_at": "2022-09-04T14:38:43.747337Z",
"structure_string": "Pb1 S2\n1.0\n5.174990 0.000000 0.000000\n0.000000 5.500238 0.000000\n0.000000 0.000000 3.237803\nPb S\n1 2\ndirect\n0.000000 0.450693 0.000000 Pb\n0.195974 0.950654 0.000000 S\n0.804026 0.950654 0.000000 S\n",
"nsites": 3,
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"formula_full": "Pb1 S2",
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},
{
"id": "jvasp-115391",
"created_at": "2022-09-04T14:38:46.356912Z",
"updated_at": "2022-09-04T14:38:46.356935Z",
"structure_string": "Pb1 S1\n1.0\n4.116381 0.870059 0.495369\n-1.344143 -4.015695 0.111326\n-1.832228 0.508367 -3.785128\nPb S\n1 1\ndirect\n0.637140 0.821554 0.066963 Pb\n0.636548 0.321273 0.566488 S\n",
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"elements": [
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"formula_full": "Pb1 S1",
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"spacegroup": 225
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]
}