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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=3614",
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"results": [
{
"id": "jvasp-117865",
"created_at": "2022-09-04T14:38:53.566314Z",
"updated_at": "2022-09-04T14:38:53.566338Z",
"structure_string": "Pb2 Br1\n1.0\n5.758778 0.000000 1.645019\n0.000000 3.420564 0.000000\n1.695310 0.000000 6.089804\nPb Br\n2 1\ndirect\n-0.098277 0.000000 0.038846 Pb\n0.031415 0.000000 0.474714 Pb\n0.466863 0.000000 -0.113560 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
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],
"chemical_system": "Br-Pb",
"density": 7.433585800804014,
"density_atomic": 0.027169171234371545,
"volume": 110.41926800493344,
"volume_molar": 22.165345818062452,
"formula_full": "Pb2 Br1",
"formula_reduced": "Pb2Br",
"formula_anonymous": "AB2",
"energy_above_hull": 0.21696041,
"spacegroup": 38
},
{
"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": [
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],
"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-117863",
"created_at": "2022-09-04T14:38:26.044453Z",
"updated_at": "2022-09-04T14:38:26.044479Z",
"structure_string": "Pb1 Br2\n1.0\n5.570105 -0.000000 0.000000\n-2.785052 4.823852 -0.000000\n-0.000000 0.000000 3.549395\nPb Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Pb\n0.333334 0.666667 0.000000 Br\n0.666667 0.333334 0.000000 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pb",
"Br"
],
"chemical_system": "Br-Pb",
"density": 6.390177747750127,
"density_atomic": 0.03145643955309131,
"volume": 95.3699796487356,
"volume_molar": 19.14438139076737,
"formula_full": "Pb1 Br2",
"formula_reduced": "PbBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.17969,
"spacegroup": 191
},
{
"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,
"nelements": 2,
"elements": [
"Pb",
"Br"
],
"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-117858",
"created_at": "2022-09-04T14:38:53.003326Z",
"updated_at": "2022-09-04T14:38:53.003366Z",
"structure_string": "Pb2 Br2\n1.0\n6.065762 -0.075422 -1.430957\n-2.287997 -3.023995 0.721456\n1.894125 -3.787432 -6.779521\nPb Br\n2 2\ndirect\n0.174097 0.376168 0.616685 Pb\n0.674233 0.376481 0.116552 Pb\n0.039502 0.144026 0.251337 Br\n0.539488 0.144151 0.751314 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pb",
"Br"
],
"chemical_system": "Br-Pb",
"density": 7.854123439909183,
"density_atomic": 0.0329487829621976,
"volume": 121.40053866600266,
"volume_molar": 18.277278304662264,
"formula_full": "Pb2 Br2",
"formula_reduced": "PbBr",
"formula_anonymous": "AB",
"energy_above_hull": 2.520500000002812e-05,
"spacegroup": 38
},
{
"id": "jvasp-117857",
"created_at": "2022-09-04T14:38:51.704523Z",
"updated_at": "2022-09-04T14:38:51.704544Z",
"structure_string": "Pb1 Se1 Br1\n1.0\n3.062982 -0.000000 -0.000000\n0.000000 3.062982 -0.000000\n-0.000000 0.000000 9.707745\nPb Se Br\n1 1 1\ndirect\n0.000000 0.000000 0.347042 Pb\n0.000000 0.000000 0.652670 Se\n0.000000 0.000000 0.028592 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Pb",
"Se",
"Br"
],
"chemical_system": "Br-Pb-Se",
"density": 6.674194661624989,
"density_atomic": 0.03293927268934073,
"volume": 91.07669219942464,
"volume_molar": 18.282555346004305,
"formula_full": "Pb1 Se1 Br1",
"formula_reduced": "PbSeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4701260972222222,
"spacegroup": 99
},
{
"id": "jvasp-117856",
"created_at": "2022-09-04T14:38:48.437440Z",
"updated_at": "2022-09-04T14:38:48.437467Z",
"structure_string": "Pb1 Se1 Br2\n1.0\n4.630063 0.000000 -0.000000\n0.000000 4.630063 0.000000\n0.000000 -0.000000 5.748728\nPb Se Br\n1 1 2\ndirect\n0.500000 0.500000 0.752351 Pb\n0.000000 0.000000 0.752650 Se\n0.000000 0.000000 0.252753 Br\n0.500000 0.500000 0.252246 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pb",
"Se",
"Br"
],
"chemical_system": "Br-Pb-Se",
"density": 6.009069590651848,
"density_atomic": 0.03245745248452501,
"volume": 123.23826097895733,
"volume_molar": 18.55395386582241,
"formula_full": "Pb1 Se1 Br2",
"formula_reduced": "PbSeBr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2984230991666666,
"spacegroup": 123
},
{
"id": "jvasp-117855",
"created_at": "2022-09-04T14:38:52.982970Z",
"updated_at": "2022-09-04T14:38:52.982998Z",
"structure_string": "Pb1 Se1 Br1\n1.0\n5.588370 -0.000000 -0.000000\n-2.794185 4.839670 0.000000\n-0.000000 -0.000000 3.131506\nPb Se Br\n1 1 1\ndirect\n0.333334 0.666666 0.000000 Pb\n0.666667 0.333333 0.000000 Se\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Pb",
"Se",
"Br"
],
"chemical_system": "Br-Pb-Se",
"density": 7.177149093126187,
"density_atomic": 0.035421512721203495,
"volume": 84.69429365178368,
"volume_molar": 17.001365264660524,
"formula_full": "Pb1 Se1 Br1",
"formula_reduced": "PbSeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4258927638888889,
"spacegroup": 187
},
{
"id": "jvasp-117853",
"created_at": "2022-09-04T14:38:54.060393Z",
"updated_at": "2022-09-04T14:38:54.060429Z",
"structure_string": "Rb1 Pb1 Br3\n1.0\n5.898627 0.000505 0.002349\n0.000693 5.949437 -0.085166\n-0.003347 -0.093977 5.932829\nRb Pb Br\n1 1 3\ndirect\n0.006022 -0.035651 0.070863 Rb\n0.505989 0.512563 0.483209 Pb\n0.506024 0.567217 0.977000 Br\n0.505970 0.015326 0.465408 Br\n0.005998 0.490542 0.433519 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Br"
],
"chemical_system": "Br-Pb-Rb",
"density": 4.246982051886633,
"density_atomic": 0.024020373923365822,
"volume": 208.1566263685949,
"volume_molar": 25.070970082368127,
"formula_full": "Rb1 Pb1 Br3",
"formula_reduced": "RbPbBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.01185,
"spacegroup": 6
},
{
"id": "jvasp-117852",
"created_at": "2022-09-04T14:38:54.053513Z",
"updated_at": "2022-09-04T14:38:54.053541Z",
"structure_string": "Rb1 Pb1 Br1\n1.0\n3.774352 -0.000000 0.000000\n0.000000 3.774352 -0.000000\n0.000000 -0.000000 9.396031\nRb Pb Br\n1 1 1\ndirect\n0.000000 0.000000 -0.028403 Rb\n0.000000 0.000000 0.591846 Pb\n0.000000 0.000000 0.299527 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Br"
],
"chemical_system": "Br-Pb-Rb",
"density": 4.6219988763767885,
"density_atomic": 0.02241258826007911,
"volume": 133.85334907274162,
"volume_molar": 26.869456977115515,
"formula_full": "Rb1 Pb1 Br1",
"formula_reduced": "RbPbBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0682166666666666,
"spacegroup": 99
},
{
"id": "jvasp-117850",
"created_at": "2022-09-04T14:38:53.155359Z",
"updated_at": "2022-09-04T14:38:53.155381Z",
"structure_string": "Rb1 Pb1 Br1\n1.0\n6.013203 -0.703303 0.000000\n-0.685677 6.290329 0.000000\n0.000000 0.000000 3.562082\nRb Pb Br\n1 1 1\ndirect\n0.013876 0.447964 0.000000 Rb\n0.421751 0.001978 0.000000 Pb\n-0.106093 -0.077708 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Br"
],
"chemical_system": "Br-Pb-Rb",
"density": 4.651022524237662,
"density_atomic": 0.022553327166926537,
"volume": 133.01806770219554,
"volume_molar": 26.701784244194375,
"formula_full": "Rb1 Pb1 Br1",
"formula_reduced": "RbPbBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 6
},
{
"id": "jvasp-11785",
"created_at": "2022-09-04T14:37:10.331698Z",
"updated_at": "2022-09-04T14:37:10.331726Z",
"structure_string": "Li3 Mn3 B3 O9\n1.0\n4.095203 -7.093099 -0.000000\n4.095203 7.093099 -0.000000\n-0.000000 -0.000000 3.133130\nLi Mn B O\n3 3 3 9\ndirect\n0.285142 0.299776 0.500000 Li\n0.014632 0.714858 0.500000 Li\n0.700224 0.985367 0.500000 Li\n0.990181 0.360409 0.000000 Mn\n0.370228 0.009819 0.000000 Mn\n0.639590 0.629771 0.000000 Mn\n0.000000 0.000000 0.000000 B\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n0.748593 0.528501 0.500000 O\n0.424042 0.861828 0.500000 O\n0.138172 0.562214 0.500000 O\n0.437785 0.575957 0.500000 O\n0.080176 0.885038 0.000000 O\n0.114961 0.195137 0.000000 O\n0.804862 0.919823 0.000000 O\n0.779908 0.251406 0.500000 O\n0.471498 0.220091 0.500000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.303052353784012,
"density_atomic": 0.09889005951993432,
"volume": 182.02031718235085,
"volume_molar": 6.089733173622019,
"formula_full": "Li3 Mn3 B3 O9",
"formula_reduced": "LiMnBO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.712661720785441,
"spacegroup": 174
}
]
}