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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=1558",
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"results": [
{
"id": "jvasp-117872",
"created_at": "2022-09-04T14:38:54.127024Z",
"updated_at": "2022-09-04T14:38:54.127053Z",
"structure_string": "Pb1 Br2\n1.0\n4.457896 0.309889 -0.420742\n0.281384 -4.081760 -0.025392\n-0.371967 -2.043127 -5.446237\nPb Br\n1 2\ndirect\n0.969105 0.160750 -0.005275 Pb\n0.469076 0.576903 0.162574 Br\n0.969070 0.860820 0.594777 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
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"Br"
],
"chemical_system": "Br-Pb",
"density": 6.080489705045594,
"density_atomic": 0.029931961896882114,
"volume": 100.22730919995249,
"volume_molar": 20.119432133271896,
"formula_full": "Pb1 Br2",
"formula_reduced": "PbBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.01705,
"spacegroup": 38
},
{
"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
},
{
"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-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-117866",
"created_at": "2022-09-04T14:38:53.596075Z",
"updated_at": "2022-09-04T14:38:53.596103Z",
"structure_string": "Pb1 Br1\n1.0\n4.391408 -0.000000 -0.000000\n0.000000 4.391408 0.000000\n0.000000 0.000000 3.560167\nPb Br\n1 1\ndirect\n0.500001 0.500001 0.000000 Pb\n0.000000 0.000000 0.000000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pb",
"Br"
],
"chemical_system": "Br-Pb",
"density": 6.944010885447633,
"density_atomic": 0.029130775611338908,
"volume": 68.655913137497,
"volume_molar": 20.672778646017008,
"formula_full": "Pb1 Br1",
"formula_reduced": "PbBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.021395205,
"spacegroup": 123
},
{
"id": "jvasp-117864",
"created_at": "2022-09-04T14:38:48.546692Z",
"updated_at": "2022-09-04T14:38:48.546718Z",
"structure_string": "Pb1 Br1\n1.0\n3.483940 -0.318547 -0.017561\n-0.666519 -3.902780 0.261654\n-0.055192 -0.313011 -4.800790\nPb Br\n1 1\ndirect\n0.966946 0.481741 0.491578 Pb\n0.968339 0.981636 0.991629 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pb",
"Br"
],
"chemical_system": "Br-Pb",
"density": 7.159881411016936,
"density_atomic": 0.030036372671193717,
"volume": 66.58593638765487,
"volume_molar": 20.049494078143177,
"formula_full": "Pb1 Br1",
"formula_reduced": "PbBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.012880205,
"spacegroup": 10
},
{
"id": "jvasp-37704",
"created_at": "2022-09-04T14:38:04.878815Z",
"updated_at": "2022-09-04T14:38:04.878838Z",
"structure_string": "Pb1 Au3\n1.0\n-0.000000 3.469382 3.469384\n3.469383 -0.000001 3.469385\n3.469383 3.469383 -0.000001\nPb Au\n1 3\ndirect\n0.750000 0.750000 0.749999 Pb\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.499999 Au\n0.249999 0.249999 0.249999 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pb",
"Au"
],
"chemical_system": "Au-Pb",
"density": 15.867893043586735,
"density_atomic": 0.04789310642166526,
"volume": 83.51932666014189,
"volume_molar": 12.574128533194877,
"formula_full": "Pb1 Au3",
"formula_reduced": "PbAu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3873133824999999,
"spacegroup": 225
},
{
"id": "jvasp-36809",
"created_at": "2022-09-04T14:37:34.324519Z",
"updated_at": "2022-09-04T14:37:34.324532Z",
"structure_string": "Pb1 Au1 O2\n1.0\n-3.572749 -0.000000 1.058623\n-1.943212 3.179488 -0.000000\n-3.580441 -0.004701 -5.525488\nPb Au O\n1 1 2\ndirect\n0.499999 0.500001 0.500000 Pb\n0.000000 0.000000 0.000000 Au\n0.106273 0.106274 0.681181 O\n0.893726 0.893728 0.318820 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pb",
"Au",
"O"
],
"chemical_system": "Au-O-Pb",
"density": 9.679144993037086,
"density_atomic": 0.05345603089791574,
"volume": 74.82785258858343,
"volume_molar": 11.265596526424495,
"formula_full": "Pb1 Au1 O2",
"formula_reduced": "PbAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1970538475,
"spacegroup": 166
},
{
"id": "jvasp-87211",
"created_at": "2022-09-04T14:38:17.839324Z",
"updated_at": "2022-09-04T14:38:17.839348Z",
"structure_string": "Pb12 Br8 O8\n1.0\n5.943695 -0.000000 0.000000\n-0.000000 9.911420 0.000000\n0.000000 0.000000 12.317916\nPb Br O\n12 8 8\ndirect\n0.250000 0.077421 0.079299 Pb\n0.749999 0.922579 0.920702 Pb\n0.749999 0.577421 0.420701 Pb\n0.250000 0.422579 0.579299 Pb\n0.250000 0.366103 0.287357 Pb\n0.749999 0.633897 0.712643 Pb\n0.749999 0.866103 0.212643 Pb\n0.250000 0.133897 0.787357 Pb\n0.250000 0.790468 0.556369 Pb\n0.749999 0.209532 0.443631 Pb\n0.749999 0.290468 0.943631 Pb\n0.250000 0.709531 0.056369 Pb\n0.250000 0.693629 0.309971 Br\n0.749999 0.306371 0.690029 Br\n0.749999 0.193629 0.190029 Br\n0.250000 0.806371 0.809972 Br\n0.749999 0.927276 0.629386 Br\n0.749999 0.572724 0.129385 Br\n0.250000 0.072724 0.370615 Br\n0.250000 0.427276 0.870615 Br\n0.996457 0.112330 0.922692 O\n0.996457 0.387670 0.422692 O\n0.496457 0.612330 0.577309 O\n0.003542 0.887670 0.077308 O\n0.503542 0.112330 0.922692 O\n0.003542 0.612330 0.577309 O\n0.503542 0.387670 0.422692 O\n0.496457 0.887670 0.077308 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Br",
"O"
],
"chemical_system": "Br-O-Pb",
"density": 7.445386610074302,
"density_atomic": 0.038585878967064224,
"volume": 725.6540669683844,
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"formula_full": "Pb12 Br8 O8",
"formula_reduced": "Pb3(BrO)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.708533952857143,
"spacegroup": 62
},
{
"id": "jvasp-25166",
"created_at": "2022-09-04T14:38:14.839160Z",
"updated_at": "2022-09-04T14:38:14.839187Z",
"structure_string": "Pb1\n1.0\n3.246242 0.000000 -1.147720\n-1.623121 2.811328 -1.147720\n-0.000000 -0.000000 3.443159\nPb\n1\ndirect\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 1,
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"elements": [
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"density": 10.94937575351079,
"density_atomic": 0.03182368824544404,
"volume": 31.42313336805524,
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"formula_full": "Pb1",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy_above_hull": 0.04252082,
"spacegroup": 229
},
{
"id": "jvasp-961",
"created_at": "2022-09-04T14:37:42.794515Z",
"updated_at": "2022-09-04T14:37:42.794528Z",
"structure_string": "Pb1\n1.0\n3.069878 0.000002 1.772397\n1.023294 2.894308 1.772397\n0.000002 0.000001 3.544790\nPb\n1\ndirect\n-0.000000 0.000000 0.000000 Pb\n",
"nsites": 1,
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"elements": [
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"volume": 31.496049322915095,
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"formula_full": "Pb1",
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"formula_anonymous": "A",
"energy_above_hull": 8.200000000124774e-07,
"spacegroup": 225
}
]
}