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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=264",
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"results": [
{
"id": "jvasp-17913",
"created_at": "2022-09-04T14:38:13.730213Z",
"updated_at": "2022-09-04T14:38:13.730225Z",
"structure_string": "Ta2 Pb2 S4\n1.0\n1.686069 -2.920358 0.000000\n1.686069 2.920358 -0.000000\n-0.000000 -0.000000 18.002431\nTa Pb S\n2 2 4\ndirect\n0.666667 0.333333 0.750000 Ta\n0.333333 0.666667 0.250000 Ta\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.000000 0.000000 0.163844 S\n0.000000 0.000000 0.663844 S\n0.000000 0.000000 0.336156 S\n0.000000 0.000000 0.836156 S\n",
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{
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"updated_at": "2022-09-04T14:37:31.672988Z",
"structure_string": "Ta6 Pb2 S12\n1.0\n2.908751 -5.038103 -0.000000\n2.908751 5.038103 -0.000000\n-0.000000 -0.000000 14.965326\nTa Pb S\n6 2 12\ndirect\n0.000000 0.000000 0.750000 Ta\n0.000000 0.000000 0.250000 Ta\n0.333333 0.666667 0.750000 Ta\n0.666667 0.333333 0.250000 Ta\n0.666667 0.333333 0.750000 Ta\n0.333333 0.666667 0.250000 Ta\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.662701 0.662701 0.854396 S\n0.662701 0.000000 0.354396 S\n0.337299 0.337299 0.354396 S\n0.337299 0.337299 0.145605 S\n0.000000 0.662701 0.145605 S\n0.662701 0.662701 0.645605 S\n0.662701 0.000000 0.145605 S\n0.337299 0.000000 0.645605 S\n0.000000 0.337299 0.854396 S\n0.000000 0.337299 0.645605 S\n0.337299 0.000000 0.854396 S\n0.000000 0.662701 0.354396 S\n",
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"volume": 438.6213478716502,
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"formula_full": "Ta6 Pb2 S12",
"formula_reduced": "Ta3PbS6",
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"spacegroup": 193
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{
"id": "jvasp-105403",
"created_at": "2022-09-04T14:37:01.981316Z",
"updated_at": "2022-09-04T14:37:01.981336Z",
"structure_string": "Sr3 Pb1 S4\n1.0\n4.259850 -0.000000 0.000000\n0.000000 6.013365 0.000000\n-0.000000 -0.000000 8.523382\nSr Pb S\n3 1 4\ndirect\n0.500000 0.500000 0.248677 Sr\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.751322 Sr\n0.000000 0.000000 0.000000 Pb\n-0.000000 0.500000 0.500000 S\n0.500000 0.000000 0.747270 S\n-0.000000 0.500000 -0.000000 S\n0.500000 0.000000 0.252730 S\n",
"nsites": 8,
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"elements": [
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"density": 4.55049658057118,
"density_atomic": 0.036640902454296666,
"volume": 218.33523369078173,
"volume_molar": 16.435568876917277,
"formula_full": "Sr3 Pb1 S4",
"formula_reduced": "Sr3PbS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.6492212187500002,
"spacegroup": 47
},
{
"id": "jvasp-101111",
"created_at": "2022-09-04T14:36:37.601899Z",
"updated_at": "2022-09-04T14:36:37.601928Z",
"structure_string": "Sr1 Pb3 S4\n1.0\n4.209426 0.006130 13.442073\n2.060603 3.670589 13.442073\n0.010453 0.006130 14.085755\nSr Pb S\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.249706 0.249706 0.249706 Pb\n0.499999 0.500000 0.500000 Pb\n0.750293 0.750294 0.750294 Pb\n0.125165 0.125165 0.125165 S\n0.374486 0.374487 0.374487 S\n0.625513 0.625513 0.625513 S\n0.874834 0.874835 0.874835 S\n",
"nsites": 8,
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"elements": [
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"density": 6.4154049185443585,
"density_atomic": 0.03690545108202867,
"volume": 216.7701454784724,
"volume_molar": 16.31775410796298,
"formula_full": "Sr1 Pb3 S4",
"formula_reduced": "SrPb3S4",
"formula_anonymous": "AB3C4",
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"spacegroup": 166
},
{
"id": "jvasp-111004",
"created_at": "2022-09-04T14:38:48.776494Z",
"updated_at": "2022-09-04T14:38:48.776514Z",
"structure_string": "Sn1 Te1 Pb4 S4\n1.0\n4.287780 0.014184 17.171311\n2.123450 3.725080 17.171311\n0.024319 0.014184 17.698542\nSn Te Pb S\n1 1 4 4\ndirect\n0.594411 0.594409 0.594411 Sn\n0.298321 0.298320 0.298321 Te\n0.004546 0.004546 0.004546 Pb\n0.402434 0.402432 0.402433 Pb\n0.800438 0.800435 0.800437 Pb\n0.198373 0.198372 0.198373 Pb\n0.703195 0.703193 0.703194 S\n0.101288 0.101288 0.101288 S\n0.499406 0.499405 0.499406 S\n0.897591 0.897588 0.897590 S\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"density": 7.134619583185732,
"density_atomic": 0.03570446613580615,
"volume": 280.0770066681244,
"volume_molar": 16.866631577949036,
"formula_full": "Sn1 Te1 Pb4 S4",
"formula_reduced": "SnTe(PbS)4",
"formula_anonymous": "ABC4D4",
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"spacegroup": 160
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{
"id": "jvasp-104930",
"created_at": "2022-09-04T14:36:58.098267Z",
"updated_at": "2022-09-04T14:36:58.098285Z",
"structure_string": "Sn1 Pb4 S5\n1.0\n4.156377 -0.022511 -14.633016\n-0.102266 4.155180 -14.633016\n0.022083 0.022511 15.211842\nSn Pb S\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Sn\n0.400686 0.400686 -0.000000 Pb\n0.800325 0.800325 -0.000001 Pb\n0.199675 0.199675 -0.000000 Pb\n0.599314 0.599314 -0.000000 Pb\n0.500000 0.500000 -0.000000 S\n0.700323 0.700323 -0.000000 S\n0.098084 0.098085 -0.000000 S\n0.901915 0.901916 -0.000001 S\n0.299677 0.299677 -0.000000 S\n",
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"density_atomic": 0.03767417549199762,
"volume": 265.4338116072136,
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"formula_full": "Sn1 Pb4 S5",
"formula_reduced": "SnPb4S5",
"formula_anonymous": "AB4C5",
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"spacegroup": 139
},
{
"id": "jvasp-91678",
"created_at": "2022-09-04T14:35:57.981257Z",
"updated_at": "2022-09-04T14:35:57.981277Z",
"structure_string": "Sn2 Pb2 S4\n1.0\n0.000000 3.180053 0.000000\n0.000000 0.000000 3.841111\n19.046626 0.000000 0.000000\nSn Pb S\n2 2 4\ndirect\n0.500000 0.000218 0.412612 Sn\n0.500000 -0.000218 0.912612 Sn\n0.500000 0.500554 0.584744 Pb\n0.500000 0.499445 0.084744 Pb\n0.500000 0.500205 0.325520 S\n0.500000 0.499795 0.825520 S\n0.500000 0.000536 0.677624 S\n0.500000 -0.000536 0.177624 S\n",
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"density": 5.567740314796174,
"density_atomic": 0.03438592544602238,
"volume": 232.65332825077147,
"volume_molar": 17.513388637607882,
"formula_full": "Sn2 Pb2 S4",
"formula_reduced": "SnPbS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.10297813,
"spacegroup": 25
},
{
"id": "jvasp-108076",
"created_at": "2022-09-04T14:38:18.384924Z",
"updated_at": "2022-09-04T14:38:18.384944Z",
"structure_string": "Sn2 Pb2 S4\n1.0\n4.124458 0.000000 0.000000\n0.000000 4.333286 0.000000\n0.000000 0.000000 11.630510\nSn Pb S\n2 2 4\ndirect\n0.500000 0.381892 0.373543 Sn\n0.500000 0.618109 0.873543 Sn\n-0.000000 0.127419 0.617048 Pb\n-0.000000 0.872582 0.117048 Pb\n-0.000000 0.215881 0.858371 S\n-0.000000 0.784120 0.358371 S\n0.500000 0.311956 0.151039 S\n0.500000 0.688045 0.651039 S\n",
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"formula_full": "Sn2 Pb2 S4",
"formula_reduced": "SnPbS2",
"formula_anonymous": "ABC2",
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"spacegroup": 26
},
{
"id": "jvasp-106332",
"created_at": "2022-09-04T14:37:48.699404Z",
"updated_at": "2022-09-04T14:37:48.699423Z",
"structure_string": "Sn1 Pb1 S2\n1.0\n4.007153 -0.000629 6.045707\n1.821201 3.569384 6.045707\n-0.001027 -0.000629 7.253126\nSn Pb S\n1 1 2\ndirect\n0.500000 0.499999 0.500002 Sn\n0.000000 0.000000 0.000000 Pb\n0.247560 0.247560 0.247561 S\n0.752439 0.752438 0.752442 S\n",
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"formula_full": "Sn1 Pb1 S2",
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},
{
"id": "jvasp-53535",
"created_at": "2022-09-04T14:38:34.142995Z",
"updated_at": "2022-09-04T14:38:34.143012Z",
"structure_string": "Sm4 Pb2 S8\n1.0\n7.030303 -0.009610 -2.479702\n-3.523473 6.083616 -2.479702\n0.005549 0.009610 7.454801\nSm Pb S\n4 2 8\ndirect\n0.117085 0.750001 0.867085 Sm\n0.250000 0.617085 0.367085 Sm\n0.382915 0.250000 0.632916 Sm\n0.750000 0.882916 0.132916 Sm\n0.625000 0.375000 0.250000 Pb\n0.875000 0.125000 0.750000 Pb\n0.011363 0.858527 0.497306 S\n0.141473 0.138779 0.152835 S\n0.358527 0.511362 0.997306 S\n0.638779 0.641474 0.652836 S\n0.488639 0.985944 0.847166 S\n0.485944 0.988639 0.347166 S\n0.861222 0.514057 0.002695 S\n0.014057 0.361222 0.502695 S\n",
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"elements": [
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"density": 6.624823165732171,
"density_atomic": 0.04389784705516443,
"volume": 318.92224651488795,
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"formula_full": "Sm4 Pb2 S8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 122
},
{
"id": "jvasp-103435",
"created_at": "2022-09-04T14:36:41.774182Z",
"updated_at": "2022-09-04T14:36:41.774211Z",
"structure_string": "Pb2 Se1 S1\n1.0\n4.121976 0.000709 6.212839\n1.874088 3.671305 6.212839\n0.001157 0.000709 7.455874\nPb Se S\n2 1 1\ndirect\n0.246856 0.246856 0.246855 Pb\n0.753146 0.753146 0.753142 Pb\n0.000000 0.000000 0.000000 Se\n0.500001 0.500001 0.499998 S\n",
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"volume": 112.78377937107551,
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"formula_full": "Pb2 Se1 S1",
"formula_reduced": "Pb2SeS",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-104705",
"created_at": "2022-09-04T14:36:55.307294Z",
"updated_at": "2022-09-04T14:36:55.307304Z",
"structure_string": "Pb2 Se1 S1\n1.0\n4.314001 -0.000000 0.000000\n0.000000 4.314001 0.000000\n0.000000 -0.000000 6.101364\nPb Se S\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n0.500000 0.500000 -0.000000 Se\n0.000000 0.000000 0.500000 S\n",
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}
]
}