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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=704",
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"results": [
{
"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-117868",
"created_at": "2022-09-04T14:38:53.163267Z",
"updated_at": "2022-09-04T14:38:53.163301Z",
"structure_string": "Pb2 Br2\n1.0\n3.929330 0.000000 0.000000\n0.000000 3.929330 0.000000\n-0.000000 0.000000 7.953610\nPb Br\n2 2\ndirect\n0.000000 0.000000 0.634681 Pb\n0.500000 0.500000 0.365319 Pb\n0.000000 0.000000 0.164221 Br\n0.500000 0.500000 0.835779 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pb",
"Br"
],
"chemical_system": "Br-Pb",
"density": 7.7645633285707145,
"density_atomic": 0.03257306991246795,
"volume": 122.80082935839354,
"volume_molar": 18.488096996024662,
"formula_full": "Pb2 Br2",
"formula_reduced": "PbBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.059115205,
"spacegroup": 129
},
{
"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": [
"Pb",
"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-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-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-32797",
"created_at": "2022-09-04T14:38:05.240643Z",
"updated_at": "2022-09-04T14:38:05.240678Z",
"structure_string": "Pb2 Cl8\n1.0\n5.104712 -0.000365 1.434126\n2.315998 5.957336 1.557105\n-0.008666 0.070504 9.835838\nPb Cl\n2 8\ndirect\n0.253381 0.750023 0.249986 Pb\n0.746618 0.249976 0.750015 Pb\n0.121652 0.419858 0.315544 Cl\n0.878348 0.580142 0.684457 Cl\n0.617605 0.185043 0.549388 Cl\n0.351991 0.314913 0.950634 Cl\n0.857081 0.080150 0.184474 Cl\n0.142919 0.919849 0.815528 Cl\n0.382394 0.814957 0.450613 Cl\n0.648007 0.685086 0.049367 Cl\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Pb",
"Cl"
],
"chemical_system": "Cl-Pb",
"density": 3.8782783900424844,
"density_atomic": 0.03345950623384468,
"volume": 298.8687259791325,
"volume_molar": 17.998295366082044,
"formula_full": "Pb2 Cl8",
"formula_reduced": "PbCl4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.187179627,
"spacegroup": 15
},
{
"id": "jvasp-42095",
"created_at": "2022-09-04T14:37:48.710073Z",
"updated_at": "2022-09-04T14:37:48.710087Z",
"structure_string": "Pb2 Cl4\n1.0\n6.739906 -0.000000 0.000000\n-0.000000 6.739906 0.000000\n0.000000 0.000000 4.438332\nPb Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n0.302466 0.302466 0.000000 Cl\n0.697535 0.697535 0.000000 Cl\n0.197534 0.802466 0.500000 Cl\n0.802466 0.197534 0.500000 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pb",
"Cl"
],
"chemical_system": "Cl-Pb",
"density": 4.581017882151085,
"density_atomic": 0.0297593736056661,
"volume": 201.6171469031733,
"volume_molar": 20.236113971341794,
"formula_full": "Pb2 Cl4",
"formula_reduced": "PbCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0238399999999999,
"spacegroup": 136
},
{
"id": "jvasp-12511",
"created_at": "2022-09-04T14:37:27.476817Z",
"updated_at": "2022-09-04T14:37:27.476847Z",
"structure_string": "Pb4 Cl8\n1.0\n4.549166 0.000000 0.000000\n-0.000000 7.617689 0.000000\n0.000000 0.000000 9.130109\nPb Cl\n4 8\ndirect\n0.250000 0.762426 0.595897 Pb\n0.750001 0.237574 0.404103 Pb\n0.250000 0.262426 0.904103 Pb\n0.750001 0.737574 0.095897 Pb\n0.250000 0.980806 0.338253 Cl\n0.750001 0.019194 0.661747 Cl\n0.250000 0.480806 0.161747 Cl\n0.750001 0.519194 0.838253 Cl\n0.750001 0.142051 0.077217 Cl\n0.250000 0.857949 0.922784 Cl\n0.750001 0.642051 0.422784 Cl\n0.250000 0.357949 0.577217 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pb",
"Cl"
],
"chemical_system": "Cl-Pb",
"density": 5.838327624431972,
"density_atomic": 0.03792715450527069,
"volume": 316.3960006103905,
"volume_molar": 15.878177096473479,
"formula_full": "Pb4 Cl8",
"formula_reduced": "PbCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-52662",
"created_at": "2022-09-04T14:37:30.762847Z",
"updated_at": "2022-09-04T14:37:30.762880Z",
"structure_string": "Pb2 F4\n1.0\n4.207150 0.006295 0.000109\n-0.006644 4.207049 0.000497\n-0.000158 -0.000669 5.949834\nPb F\n2 4\ndirect\n0.029964 0.970037 -0.000000 Pb\n0.529964 0.470036 0.500000 Pb\n0.529966 0.969927 0.250088 F\n0.030072 0.470032 0.749918 F\n0.029964 0.469932 0.249912 F\n0.530072 0.970039 0.750081 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pb",
"F"
],
"chemical_system": "F-Pb",
"density": 7.732544968281693,
"density_atomic": 0.0569744054971278,
"volume": 105.31044506120335,
"volume_molar": 10.569905394280225,
"formula_full": "Pb2 F4",
"formula_reduced": "PbF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0009333333333333,
"spacegroup": 225
},
{
"id": "jvasp-1256",
"created_at": "2022-09-04T14:37:00.967263Z",
"updated_at": "2022-09-04T14:37:00.967290Z",
"structure_string": "Pb1 F2\n1.0\n3.641763 0.000000 2.102572\n1.213921 3.433487 2.102572\n0.000000 0.000000 4.205145\nPb F\n1 2\ndirect\n0.000000 0.000000 0.000000 Pb\n0.749999 0.750001 0.749998 F\n0.250000 0.250000 0.249999 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pb",
"F"
],
"chemical_system": "F-Pb",
"density": 7.743474003656699,
"density_atomic": 0.057054932063181046,
"volume": 52.58090565558615,
"volume_molar": 10.554987171540663,
"formula_full": "Pb1 F2",
"formula_reduced": "PbF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0010099999999999,
"spacegroup": 225
},
{
"id": "jvasp-12326",
"created_at": "2022-09-04T14:38:10.814778Z",
"updated_at": "2022-09-04T14:38:10.814804Z",
"structure_string": "Pb4 F12\n1.0\n5.369683 0.000000 0.000000\n0.000000 5.369683 -0.000000\n0.000000 0.000000 9.010591\nPb F\n4 12\ndirect\n0.500000 0.500000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n0.000000 0.000000 0.750000 Pb\n0.000000 0.000000 0.250000 Pb\n0.203413 0.204251 0.592177 F\n0.796586 0.795748 0.592177 F\n0.204251 0.796586 0.407823 F\n0.795748 0.203413 0.407823 F\n0.282609 0.282609 0.250000 F\n0.282609 0.717390 0.750000 F\n0.717390 0.282609 0.750000 F\n0.717390 0.717390 0.250000 F\n0.796586 0.204251 0.092177 F\n0.204251 0.203413 0.907823 F\n0.795748 0.796586 0.907823 F\n0.203413 0.795748 0.092177 F\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Pb",
"F"
],
"chemical_system": "F-Pb",
"density": 6.7543483427105855,
"density_atomic": 0.061584215001500915,
"volume": 259.8068352354585,
"volume_molar": 9.778708326237869,
"formula_full": "Pb4 F12",
"formula_reduced": "PbF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0412175706249999,
"spacegroup": 132
},
{
"id": "jvasp-2091",
"created_at": "2022-09-04T14:36:51.747970Z",
"updated_at": "2022-09-04T14:36:51.748003Z",
"structure_string": "Pb1 F4\n1.0\n3.926935 -0.000000 -1.845634\n-0.867436 3.829931 -1.845634\n-0.057769 -0.072317 4.977549\nPb F\n1 4\ndirect\n0.000000 0.000000 0.000000 Pb\n0.744384 0.744386 0.488773 F\n-0.000000 0.500000 0.000000 F\n0.499999 0.000000 0.000000 F\n0.255613 0.255613 0.511228 F\n",
"nsites": 5,
"nelements": 2,
"elements": [
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"density": 6.370837963808135,
"density_atomic": 0.06773825619004724,
"volume": 73.81353287235417,
"volume_molar": 8.89030969900408,
"formula_full": "Pb1 F4",
"formula_reduced": "PbF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0567741130000001,
"spacegroup": 139
}
]
}