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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1558",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1556",
"results": [
{
"id": "jvasp-12320",
"created_at": "2022-09-04T14:38:11.699157Z",
"updated_at": "2022-09-04T14:38:11.699175Z",
"structure_string": "Pb2 C4 S4 N4\n1.0\n5.900983 0.035330 0.170745\n2.217556 5.468574 0.170745\n-0.040796 -0.027657 8.137770\nPb C S N\n2 4 4 4\ndirect\n0.903147 0.096852 0.249999 Pb\n0.096853 0.903146 0.749999 Pb\n0.752885 0.487702 0.601822 C\n0.247115 0.512296 0.398176 C\n0.487703 0.752885 0.101822 C\n0.512296 0.247114 0.898176 C\n0.645908 0.767685 0.665705 S\n0.767686 0.645907 0.165705 S\n0.232314 0.354091 0.834293 S\n0.354092 0.232314 0.334293 S\n0.281780 0.834825 0.056186 N\n0.718220 0.165174 0.943813 N\n0.834825 0.281779 0.556186 N\n0.165175 0.718220 0.443813 N\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"C",
"S",
"N"
],
"chemical_system": "C-N-Pb-S",
"density": 4.0985673664057565,
"density_atomic": 0.05343038179281514,
"volume": 262.0232072135895,
"volume_molar": 11.271004544477737,
"formula_full": "Pb2 C4 S4 N4",
"formula_reduced": "PbC2(SN)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 4.310088188571429,
"spacegroup": 15
},
{
"id": "jvasp-94278",
"created_at": "2022-09-04T14:35:59.294932Z",
"updated_at": "2022-09-04T14:35:59.294945Z",
"structure_string": "Pb2 Br2 F2\n1.0\n4.200765 -0.000000 -0.000000\n-0.000000 4.200765 0.000000\n-0.000000 0.000000 7.611201\nPb Br F\n2 2 2\ndirect\n0.749999 0.749999 0.806184 Pb\n0.250000 0.250000 0.193816 Pb\n0.749999 0.749999 0.351912 Br\n0.250000 0.250000 0.648088 Br\n0.250000 0.749999 0.000000 F\n0.749999 0.250000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pb",
"Br",
"F"
],
"chemical_system": "Br-F-Pb",
"density": 7.568954030183276,
"density_atomic": 0.04467260575053686,
"volume": 134.31049967189108,
"volume_molar": 13.480612242834365,
"formula_full": "Pb2 Br2 F2",
"formula_reduced": "PbBrF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-3579",
"created_at": "2022-09-04T14:36:11.565421Z",
"updated_at": "2022-09-04T14:36:11.565450Z",
"structure_string": "Pb2 Br2 F2\n1.0\n4.200447 0.000000 0.000000\n0.000000 4.200447 0.000000\n0.000000 0.000000 7.614561\nPb Br F\n2 2 2\ndirect\n0.000000 0.500000 0.806212 Pb\n0.500000 0.000000 0.193788 Pb\n0.500000 0.000000 0.648133 Br\n0.000000 0.500000 0.351867 Br\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pb",
"Br",
"F"
],
"chemical_system": "Br-F-Pb",
"density": 7.566759726295974,
"density_atomic": 0.044659654783723815,
"volume": 134.3494487151006,
"volume_molar": 13.484521519845616,
"formula_full": "Pb2 Br2 F2",
"formula_reduced": "PbBrF",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0000000000085517e-05,
"spacegroup": 129
},
{
"id": "jvasp-115681",
"created_at": "2022-09-04T14:38:47.436332Z",
"updated_at": "2022-09-04T14:38:47.436358Z",
"structure_string": "Pb1 Br1 Cl2\n1.0\n4.435399 -0.000000 -0.000000\n-0.000000 4.435399 -0.000000\n0.000000 0.000000 5.618251\nPb Br Cl\n1 1 2\ndirect\n0.500000 0.500000 0.398207 Pb\n0.000000 0.000000 0.127288 Br\n0.000000 0.000000 0.618865 Cl\n0.500000 0.500000 0.865640 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pb",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Pb",
"density": 5.378705039633069,
"density_atomic": 0.03619040682258649,
"volume": 110.52652764056782,
"volume_molar": 16.64015767913825,
"formula_full": "Pb1 Br1 Cl2",
"formula_reduced": "PbBrCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.164346016875,
"spacegroup": 99
},
{
"id": "jvasp-115680",
"created_at": "2022-09-04T14:38:46.470111Z",
"updated_at": "2022-09-04T14:38:46.470139Z",
"structure_string": "Pb1 Br1 Cl1\n1.0\n5.992044 0.000000 -0.000000\n0.000000 5.992044 -0.000000\n-0.000000 -0.000000 9.375867\nPb Br Cl\n1 1 1\ndirect\n0.000000 0.000000 -0.000583 Pb\n0.000000 0.000000 0.291504 Br\n0.000000 0.000000 0.722766 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Pb",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Pb",
"density": 1.591087790320823,
"density_atomic": 0.008911685039984197,
"volume": 336.6366726988053,
"volume_molar": 67.57578093234181,
"formula_full": "Pb1 Br1 Cl1",
"formula_reduced": "PbBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3446033333333334,
"spacegroup": 99
},
{
"id": "jvasp-115683",
"created_at": "2022-09-04T14:38:46.513517Z",
"updated_at": "2022-09-04T14:38:46.513541Z",
"structure_string": "Pb2 Br2 Cl2\n1.0\n4.612706 -0.000000 0.000000\n0.000000 4.612706 0.000000\n0.000000 0.000000 7.911427\nPb Br Cl\n2 2 2\ndirect\n0.000000 0.500001 0.765021 Pb\n0.500001 0.000000 0.234979 Pb\n0.500001 0.000000 0.638399 Br\n0.000000 0.500001 0.361601 Br\n0.500001 0.500001 0.000000 Cl\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pb",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Pb",
"density": 6.363839082980162,
"density_atomic": 0.035643872008612236,
"volume": 168.33188040149753,
"volume_molar": 16.895304636221724,
"formula_full": "Pb2 Br2 Cl2",
"formula_reduced": "PbBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0087266666666667,
"spacegroup": 129
},
{
"id": "jvasp-115679",
"created_at": "2022-09-04T14:38:48.227639Z",
"updated_at": "2022-09-04T14:38:48.227671Z",
"structure_string": "Pb1 Br1 Cl1\n1.0\n5.432090 0.000000 0.000000\n-2.716045 4.704328 -0.000000\n0.000000 0.000000 3.418015\nPb Br Cl\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Pb\n0.000000 0.000000 0.000000 Br\n0.333332 0.666666 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Pb",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Pb",
"density": 6.13221048137797,
"density_atomic": 0.034346519872364305,
"volume": 87.34509380130365,
"volume_molar": 17.53348165222847,
"formula_full": "Pb1 Br1 Cl1",
"formula_reduced": "PbBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.19433,
"spacegroup": 187
},
{
"id": "jvasp-115682",
"created_at": "2022-09-04T14:38:45.518792Z",
"updated_at": "2022-09-04T14:38:45.518816Z",
"structure_string": "Pb2 Br2 Cl2\n1.0\n7.770628 0.000000 0.698717\n0.000000 4.593564 0.000000\n-2.546333 0.000000 5.007041\nPb Br Cl\n2 2 2\ndirect\n0.715861 0.749999 0.884321 Pb\n0.284140 0.250000 0.115678 Pb\n0.077252 0.749999 0.776133 Br\n0.922748 0.250000 0.223866 Br\n0.442148 0.250000 0.710720 Cl\n0.557853 0.749999 0.289279 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pb",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Pb",
"density": 5.731653390225268,
"density_atomic": 0.03210299901914642,
"volume": 186.89842641871445,
"volume_molar": 18.75881052860002,
"formula_full": "Pb2 Br2 Cl2",
"formula_reduced": "PbBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.00632,
"spacegroup": 11
},
{
"id": "jvasp-36723",
"created_at": "2022-09-04T14:37:58.849250Z",
"updated_at": "2022-09-04T14:37:58.849273Z",
"structure_string": "Pb2 Br2 Cl2\n1.0\n4.613712 0.000000 0.000000\n-0.000000 4.613712 -0.000000\n0.000000 0.000000 7.896813\nPb Br Cl\n2 2 2\ndirect\n0.500000 0.000000 0.764964 Pb\n0.000000 0.500000 0.235036 Pb\n0.000000 0.500000 0.638214 Br\n0.500000 0.000000 0.361785 Br\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pb",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Pb",
"density": 6.372836082734792,
"density_atomic": 0.03569426421739281,
"volume": 168.0942339491164,
"volume_molar": 16.87145229643249,
"formula_full": "Pb2 Br2 Cl2",
"formula_reduced": "PbBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0136666666666666,
"spacegroup": 129
},
{
"id": "jvasp-12473",
"created_at": "2022-09-04T14:38:32.311168Z",
"updated_at": "2022-09-04T14:38:32.311192Z",
"structure_string": "Pb4 Br4 Cl4\n1.0\n4.602543 0.000000 0.000000\n0.000000 7.809562 0.000000\n0.000000 0.000000 9.250005\nPb Br Cl\n4 4 4\ndirect\n0.250000 0.251740 0.604079 Pb\n0.750000 0.748260 0.395920 Pb\n0.250000 0.751740 0.895920 Pb\n0.750000 0.248260 0.104080 Pb\n0.750000 0.972972 0.668164 Br\n0.250000 0.527027 0.168164 Br\n0.750000 0.472972 0.831835 Br\n0.250000 0.027027 0.331835 Br\n0.750000 0.858385 0.069583 Cl\n0.250000 0.641615 0.569583 Cl\n0.750000 0.358385 0.430417 Cl\n0.250000 0.141615 0.930416 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Pb",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Pb",
"density": 6.443903984793506,
"density_atomic": 0.036092315640735076,
"volume": 332.4807451937601,
"volume_molar": 16.685382062887637,
"formula_full": "Pb4 Br4 Cl4",
"formula_reduced": "PbBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-115710",
"created_at": "2022-09-04T14:38:46.734729Z",
"updated_at": "2022-09-04T14:38:46.734766Z",
"structure_string": "Pb1 Br3\n1.0\n4.063870 -0.239169 0.500615\n3.720552 -5.965462 0.598957\n-1.506455 -2.857490 -5.845774\nPb Br\n1 3\ndirect\n0.636391 0.969155 0.392708 Pb\n0.780521 0.152413 0.025518 Br\n0.513157 0.785835 0.759873 Br\n0.214678 0.469147 0.392598 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pb",
"Br"
],
"chemical_system": "Br-Pb",
"density": 5.543692536558339,
"density_atomic": 0.0298805105227453,
"volume": 133.86652135528828,
"volume_molar": 20.1540758663273,
"formula_full": "Pb1 Br3",
"formula_reduced": "PbBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.07238602625,
"spacegroup": 44
},
{
"id": "jvasp-117861",
"created_at": "2022-09-04T14:38:48.491777Z",
"updated_at": "2022-09-04T14:38:48.491800Z",
"structure_string": "Pb1 Br2\n1.0\n4.229494 0.000000 0.000000\n0.000000 4.311977 0.000000\n0.000000 0.000000 7.817159\nPb Br\n1 2\ndirect\n0.466445 0.000000 0.000000 Pb\n-0.033223 0.000000 0.737941 Br\n-0.033223 0.000000 0.262060 Br\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Br-Pb",
"density": 4.2747511135461425,
"density_atomic": 0.0210429905576755,
"volume": 142.5652875610753,
"volume_molar": 28.618274306089088,
"formula_full": "Pb1 Br2",
"formula_reduced": "PbBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.13648,
"spacegroup": 47
}
]
}