HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=843",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=841",
"results": [
{
"id": "jvasp-65742",
"created_at": "2022-09-04T14:36:20.439913Z",
"updated_at": "2022-09-04T14:36:20.439930Z",
"structure_string": "Ba1 Tl1 P2\n1.0\n4.201930 0.000000 -0.000000\n0.000000 4.201930 0.000000\n0.000000 0.000000 6.438411\nBa Tl P\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.828000 P\n0.000000 0.000000 0.172000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"P"
],
"chemical_system": "Ba-P-Tl",
"density": 5.896389295201845,
"density_atomic": 0.03518711563359547,
"volume": 113.67797354156914,
"volume_molar": 17.114618949472128,
"formula_full": "Ba1 Tl1 P2",
"formula_reduced": "BaTlP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1877873925,
"spacegroup": 123
},
{
"id": "jvasp-69183",
"created_at": "2022-09-04T14:36:20.424264Z",
"updated_at": "2022-09-04T14:36:20.424283Z",
"structure_string": "Ba1 In2 Te1\n1.0\n4.277383 0.000000 -0.000000\n-0.000000 4.277383 0.000000\n0.000000 0.000000 7.340858\nBa In Te\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.296447 In\n0.000000 0.000000 0.703553 In\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"In",
"Te"
],
"chemical_system": "Ba-In-Te",
"density": 6.114593893679785,
"density_atomic": 0.02978220783253204,
"volume": 134.3083770851493,
"volume_molar": 20.22059880134819,
"formula_full": "Ba1 In2 Te1",
"formula_reduced": "BaIn2Te",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-65787",
"created_at": "2022-09-04T14:36:19.597263Z",
"updated_at": "2022-09-04T14:36:19.597281Z",
"structure_string": "Ba1 Mg1 Bi2\n1.0\n4.190282 -0.000000 0.000000\n0.000000 4.190071 0.000000\n0.000000 0.000000 7.555065\nBa Mg Bi\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.708433 Bi\n0.000000 0.000000 0.291567 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Bi"
],
"chemical_system": "Ba-Bi-Mg",
"density": 7.255531646359227,
"density_atomic": 0.030154848630355287,
"volume": 132.64865126775706,
"volume_molar": 19.970721238964636,
"formula_full": "Ba1 Mg1 Bi2",
"formula_reduced": "BaMgBi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2888012326086957,
"spacegroup": 123
},
{
"id": "jvasp-74926",
"created_at": "2022-09-04T14:36:20.408257Z",
"updated_at": "2022-09-04T14:36:20.408276Z",
"structure_string": "La2 Be1 Os1\n1.0\n-2.544788 2.544788 3.598511\n2.544788 -2.544788 3.598511\n2.544788 2.544788 -3.598511\nLa Be Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.000000 La\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Be",
"Os"
],
"chemical_system": "Be-La-Os",
"density": 8.498255765113003,
"density_atomic": 0.04291152501853067,
"volume": 93.21505116102638,
"volume_molar": 14.033853976057559,
"formula_full": "La2 Be1 Os1",
"formula_reduced": "La2BeOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.907732775,
"spacegroup": 225
},
{
"id": "jvasp-74686",
"created_at": "2022-09-04T14:36:19.803003Z",
"updated_at": "2022-09-04T14:36:19.803028Z",
"structure_string": "Be2 Fe1 Co1\n1.0\n-1.880133 1.880133 2.658371\n1.880133 -1.880133 2.658371\n1.880133 1.880133 -2.658371\nBe Fe Co\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Fe\n0.500000 0.500000 0.000000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Co"
],
"chemical_system": "Be-Co-Fe",
"density": 5.866820687958637,
"density_atomic": 0.10641608196353063,
"volume": 37.58830363037442,
"volume_molar": 5.659051384793344,
"formula_full": "Be2 Fe1 Co1",
"formula_reduced": "Be2FeCo",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.55451215,
"spacegroup": 216
},
{
"id": "jvasp-67338",
"created_at": "2022-09-04T14:36:20.382147Z",
"updated_at": "2022-09-04T14:36:20.382173Z",
"structure_string": "Be2 Nb1 Zn1\n1.0\n2.761139 0.000000 -0.000000\n0.000000 2.761139 0.000000\n0.000000 0.000000 6.456827\nBe Nb Zn\n2 1 1\ndirect\n0.000000 0.000000 0.031482 Be\n0.500000 0.500000 0.196992 Be\n0.000000 0.000000 0.472605 Nb\n0.500000 0.500000 0.798921 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Zn"
],
"chemical_system": "Be-Nb-Zn",
"density": 5.948447221424148,
"density_atomic": 0.08125765790660683,
"volume": 49.22612961103782,
"volume_molar": 7.411167039691845,
"formula_full": "Be2 Nb1 Zn1",
"formula_reduced": "Be2NbZn",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.895353,
"spacegroup": 99
},
{
"id": "jvasp-68221",
"created_at": "2022-09-04T14:36:19.553607Z",
"updated_at": "2022-09-04T14:36:19.553632Z",
"structure_string": "Be1 Hg1 Pd2\n1.0\n-1.956300 1.956300 3.986234\n1.956300 -1.956300 3.986234\n1.956300 1.956300 -3.986234\nBe Hg Pd\n1 1 2\ndirect\n0.499999 0.499999 0.000000 Be\n0.750000 0.250000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n0.250000 0.750000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Pd"
],
"chemical_system": "Be-Hg-Pd",
"density": 11.495362852544844,
"density_atomic": 0.06554903478765142,
"volume": 61.02301907202984,
"volume_molar": 9.187230261298206,
"formula_full": "Be1 Hg1 Pd2",
"formula_reduced": "BeHgPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0509461375000002,
"spacegroup": 119
},
{
"id": "jvasp-68943",
"created_at": "2022-09-04T14:36:19.572768Z",
"updated_at": "2022-09-04T14:36:19.572790Z",
"structure_string": "Ba1 Cr1 Cl2\n1.0\n4.194639 0.000000 0.000000\n0.000000 4.194639 0.000000\n0.000000 0.000000 6.324529\nBa Cr Cl\n1 1 2\ndirect\n0.500000 0.500000 0.794431 Ba\n0.000000 0.000000 0.409682 Cr\n0.000000 0.000000 0.990412 Cl\n0.500000 0.500000 0.305476 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"Cl"
],
"chemical_system": "Ba-Cl-Cr",
"density": 3.8831805888457667,
"density_atomic": 0.03594534217827333,
"volume": 111.28006460925401,
"volume_molar": 16.753605321470552,
"formula_full": "Ba1 Cr1 Cl2",
"formula_reduced": "BaCrCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.93409287625,
"spacegroup": 99
},
{
"id": "jvasp-100240",
"created_at": "2022-09-04T14:36:35.606511Z",
"updated_at": "2022-09-04T14:36:35.606526Z",
"structure_string": "Ti2 Fe1 Os1\n1.0\n3.714314 0.000000 2.144460\n1.238104 3.501889 2.144460\n-0.000000 -0.000000 4.288920\nTi Fe Os\n2 1 1\ndirect\n0.749998 0.750000 0.750001 Ti\n0.249999 0.250000 0.250000 Ti\n0.499999 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Os"
],
"chemical_system": "Fe-Os-Ti",
"density": 10.17427927185294,
"density_atomic": 0.0717019644629868,
"volume": 55.78647712037006,
"volume_molar": 8.398850443084699,
"formula_full": "Ti2 Fe1 Os1",
"formula_reduced": "Ti2FeOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.104506791666666,
"spacegroup": 225
},
{
"id": "jvasp-74420",
"created_at": "2022-09-04T14:36:19.600139Z",
"updated_at": "2022-09-04T14:36:19.600169Z",
"structure_string": "Be2 Cd1 Fe1\n1.0\n-1.716168 1.716168 4.057752\n1.716168 -1.716168 4.057752\n1.716168 1.716168 -4.057752\nBe Cd Fe\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500001 Be\n0.500000 0.500000 0.000000 Cd\n0.750000 0.250000 0.500001 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Fe"
],
"chemical_system": "Be-Cd-Fe",
"density": 6.470697300835621,
"density_atomic": 0.08367484180877055,
"volume": 47.80409396102057,
"volume_molar": 7.197074568438295,
"formula_full": "Be2 Cd1 Fe1",
"formula_reduced": "Be2CdFe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3890568625,
"spacegroup": 119
},
{
"id": "jvasp-69030",
"created_at": "2022-09-04T14:36:19.601861Z",
"updated_at": "2022-09-04T14:36:19.601899Z",
"structure_string": "Ba2 Ca1 Pd1\n1.0\n0.000000 4.180206 4.180206\n4.180206 0.000000 4.180206\n4.180206 4.180206 -0.000000\nBa Ca Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Pd"
],
"chemical_system": "Ba-Ca-Pd",
"density": 4.787016411742989,
"density_atomic": 0.0273802205967525,
"volume": 146.09086095071237,
"volume_molar": 21.994493209869436,
"formula_full": "Ba2 Ca1 Pd1",
"formula_reduced": "Ba2CaPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.181122015,
"spacegroup": 225
},
{
"id": "jvasp-105881",
"created_at": "2022-09-04T14:36:20.350650Z",
"updated_at": "2022-09-04T14:36:20.350672Z",
"structure_string": "Y2 Mg1 Hg1\n1.0\n4.566192 0.000000 2.636292\n1.522064 4.305046 2.636292\n-0.000000 -0.000000 5.272583\nY Mg Hg\n2 1 1\ndirect\n0.749999 0.750001 0.749999 Y\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Mg\n0.499999 0.500000 0.499999 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg-Y",
"density": 6.451824754346802,
"density_atomic": 0.03859265002837639,
"volume": 103.64667876030491,
"volume_molar": 15.604372220026463,
"formula_full": "Y2 Mg1 Hg1",
"formula_reduced": "Y2MgHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.969473175,
"spacegroup": 225
}
]
}