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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=270",
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"results": [
{
"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",
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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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},
{
"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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"volume": 106.95630035731261,
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"formula_full": "Pb2 S2",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
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"spacegroup": 225
},
{
"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": [
"Pb",
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"density": 7.194805446105705,
"density_atomic": 0.036217692643919025,
"volume": 110.44325874999116,
"volume_molar": 16.62762125463871,
"formula_full": "Pb2 S2",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.4327854099999999,
"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",
"nsites": 2,
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"elements": [
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"chemical_system": "Pb-S",
"density": 7.413631154735488,
"density_atomic": 0.03731923212502215,
"volume": 53.59167073159099,
"volume_molar": 16.136829235460656,
"formula_full": "Pb1 S1",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.3972604099999999,
"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",
"nsites": 4,
"nelements": 2,
"elements": [
"Pb",
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"chemical_system": "Pb-S",
"density": 7.4293071671747235,
"density_atomic": 0.03739814308441631,
"volume": 106.9571820978135,
"volume_molar": 16.102780147149627,
"formula_full": "Pb2 S2",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.3890804099999998,
"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",
"nsites": 2,
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"elements": [
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"density": 7.3678791848154646,
"density_atomic": 0.0370889228002142,
"volume": 53.92445638751335,
"volume_molar": 16.237033338604327,
"formula_full": "Pb1 S1",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.4619104099999999,
"spacegroup": 187
},
{
"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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"elements": [
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"density": 6.332523148326409,
"density_atomic": 0.031877078367800356,
"volume": 250.96402837472561,
"volume_molar": 18.891758807115398,
"formula_full": "Pb4 S4",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.50386541,
"spacegroup": 38
},
{
"id": "jvasp-51155",
"created_at": "2022-09-04T14:36:44.217490Z",
"updated_at": "2022-09-04T14:36:44.217516Z",
"structure_string": "Te1 Ru1 Pb1\n1.0\n0.000000 3.434979 3.434979\n3.434979 0.000000 3.434979\n3.434979 3.434979 0.000000\nTe Ru Pb\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 3,
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"elements": [
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"Ru",
"Pb"
],
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"density": 8.92902052662183,
"density_atomic": 0.037009992758502565,
"volume": 81.05918905673897,
"volume_molar": 16.271661546371124,
"formula_full": "Te1 Ru1 Pb1",
"formula_reduced": "TeRuPb",
"formula_anonymous": "ABC",
"energy_above_hull": 2.028869695555556,
"spacegroup": 216
},
{
"id": "jvasp-39941",
"created_at": "2022-09-04T14:37:49.982475Z",
"updated_at": "2022-09-04T14:37:49.982502Z",
"structure_string": "Yb1 Rh2 Pb1\n1.0\n-0.000009 3.300377 3.300373\n3.300366 -0.000004 3.300368\n3.300366 3.300372 -0.000005\nYb Rh Pb\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Yb\n-0.000000 0.000003 0.999999 Rh\n0.499999 0.499998 0.500000 Rh\n0.250000 0.250001 0.250001 Pb\n",
"nsites": 4,
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"elements": [
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"Rh",
"Pb"
],
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"density": 13.535219556982481,
"density_atomic": 0.05563406421476753,
"volume": 71.89839635944193,
"volume_molar": 10.824556582370771,
"formula_full": "Yb1 Rh2 Pb1",
"formula_reduced": "YbRh2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.17050438,
"spacegroup": 225
},
{
"id": "jvasp-105882",
"created_at": "2022-09-04T14:36:21.453120Z",
"updated_at": "2022-09-04T14:36:21.453136Z",
"structure_string": "Y1 Rh2 Pb1\n1.0\n4.125768 0.000000 2.382013\n1.375256 3.889811 2.382013\n0.000000 0.000000 4.764027\nY Rh Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Rh\n0.750001 0.750000 0.749999 Rh\n0.500001 0.500000 0.499999 Pb\n",
"nsites": 4,
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"elements": [
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"Rh",
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"volume": 76.4552860286351,
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"formula_full": "Y1 Rh2 Pb1",
"formula_reduced": "YRh2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0932430675,
"spacegroup": 225
},
{
"id": "jvasp-80010",
"created_at": "2022-09-04T14:37:13.257945Z",
"updated_at": "2022-09-04T14:37:13.257971Z",
"structure_string": "Tm1 Rh2 Pb1\n1.0\n0.000490 3.340336 3.340336\n3.340336 0.000490 3.340336\n3.340336 3.340336 0.000490\nTm Rh Pb\n1 2 1\ndirect\n0.749996 0.749996 0.749996 Tm\n0.999997 0.999997 0.999997 Rh\n0.500004 0.500004 0.500004 Rh\n0.250005 0.250005 0.250005 Pb\n",
"nsites": 4,
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"elements": [
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],
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"volume": 74.52549792067781,
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"formula_full": "Tm1 Rh2 Pb1",
"formula_reduced": "TmRh2Pb",
"formula_anonymous": "ABC2",
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}
]
}