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=formula_reduced&page=240",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=238",
"results": [
{
"id": "jvasp-63921",
"created_at": "2022-09-04T14:37:40.245429Z",
"updated_at": "2022-09-04T14:37:40.245452Z",
"structure_string": "Ba4 Ca1 Ir1\n1.0\n-0.000000 4.921824 4.921824\n4.921824 -0.000000 4.921824\n4.921824 4.921824 0.000000\nBa Ca Ir\n4 1 1\ndirect\n0.117878 0.627373 0.627373 Ba\n0.627373 0.627373 0.627373 Ba\n0.627373 0.117878 0.627373 Ba\n0.627373 0.627373 0.117878 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Ir"
],
"chemical_system": "Ba-Ca-Ir",
"density": 5.442858957558658,
"density_atomic": 0.025161875881161436,
"volume": 238.45598906606833,
"volume_molar": 23.93359218701474,
"formula_full": "Ba4 Ca1 Ir1",
"formula_reduced": "Ba4CaIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7231642333333331,
"spacegroup": 216
},
{
"id": "jvasp-64626",
"created_at": "2022-09-04T14:36:05.896435Z",
"updated_at": "2022-09-04T14:36:05.896468Z",
"structure_string": "Ba4 Ca1 Mo1\n1.0\n0.000000 4.987160 4.987160\n4.987160 -0.000000 4.987160\n4.987160 4.987160 -0.000000\nBa Ca Mo\n4 1 1\ndirect\n0.119594 0.626802 0.626802 Ba\n0.626802 0.626802 0.626802 Ba\n0.626802 0.119594 0.626802 Ba\n0.626802 0.626802 0.119594 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Mo"
],
"chemical_system": "Ba-Ca-Mo",
"density": 4.587292207880256,
"density_atomic": 0.024185849705967204,
"volume": 248.07894173425143,
"volume_molar": 24.899438445258344,
"formula_full": "Ba4 Ca1 Mo1",
"formula_reduced": "Ba4CaMo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.030580033333333,
"spacegroup": 216
},
{
"id": "jvasp-64205",
"created_at": "2022-09-04T14:35:58.778345Z",
"updated_at": "2022-09-04T14:35:58.778365Z",
"structure_string": "Ba4 Ca1 Nb1\n1.0\n-0.000000 5.154241 5.154241\n5.154241 0.000000 5.154241\n5.154241 5.154241 0.000000\nBa Ca Nb\n4 1 1\ndirect\n0.121382 0.626206 0.626206 Ba\n0.626206 0.626206 0.626206 Ba\n0.626206 0.121382 0.626206 Ba\n0.626206 0.626206 0.121382 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Nb"
],
"chemical_system": "Ba-Ca-Nb",
"density": 4.137094669602325,
"density_atomic": 0.021909228808682308,
"volume": 273.8571974574608,
"volume_molar": 27.486776520465725,
"formula_full": "Ba4 Ca1 Nb1",
"formula_reduced": "Ba4CaNb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8952989499999999,
"spacegroup": 216
},
{
"id": "jvasp-64016",
"created_at": "2022-09-04T14:35:52.985180Z",
"updated_at": "2022-09-04T14:35:52.985200Z",
"structure_string": "Ba4 Ca1 Os1\n1.0\n-0.000000 4.884609 4.884609\n4.884609 -0.000000 4.884609\n4.884609 4.884609 0.000000\nBa Ca Os\n4 1 1\ndirect\n0.118865 0.627045 0.627045 Ba\n0.627045 0.627045 0.627045 Ba\n0.627045 0.118865 0.627045 Ba\n0.627045 0.627045 0.118865 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Os"
],
"chemical_system": "Ba-Ca-Os",
"density": 5.554058238674471,
"density_atomic": 0.02574138076752711,
"volume": 233.08772960497257,
"volume_molar": 23.394785285166066,
"formula_full": "Ba4 Ca1 Os1",
"formula_reduced": "Ba4CaOs",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0187332166666667,
"spacegroup": 216
},
{
"id": "jvasp-64531",
"created_at": "2022-09-04T14:35:54.861489Z",
"updated_at": "2022-09-04T14:35:54.861514Z",
"structure_string": "Ba4 Ca1 P1\n1.0\n-0.000000 5.104082 5.104082\n5.104082 0.000000 5.104082\n5.104082 5.104082 -0.000000\nBa Ca P\n4 1 1\ndirect\n0.118519 0.627160 0.627160 Ba\n0.627160 0.627160 0.627160 Ba\n0.627160 0.118519 0.627160 Ba\n0.627160 0.627160 0.118519 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"P"
],
"chemical_system": "Ba-Ca-P",
"density": 3.8735555956931544,
"density_atomic": 0.022561518469675836,
"volume": 265.9395469353889,
"volume_molar": 26.692089754925643,
"formula_full": "Ba4 Ca1 P1",
"formula_reduced": "Ba4CaP",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3502933,
"spacegroup": 216
},
{
"id": "jvasp-64550",
"created_at": "2022-09-04T14:36:01.681308Z",
"updated_at": "2022-09-04T14:36:01.681337Z",
"structure_string": "Ba4 Ca1 Pt1\n1.0\n-0.000000 5.017482 5.017482\n5.017482 -0.000000 5.017482\n5.017482 5.017482 0.000000\nBa Ca Pt\n4 1 1\ndirect\n0.118204 0.627266 0.627266 Ba\n0.627266 0.627266 0.627266 Ba\n0.627266 0.118204 0.627266 Ba\n0.627266 0.627266 0.118204 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Pt"
],
"chemical_system": "Ba-Ca-Pt",
"density": 5.156297565167568,
"density_atomic": 0.023750009368324037,
"volume": 252.63147929542905,
"volume_molar": 25.356372145401654,
"formula_full": "Ba4 Ca1 Pt1",
"formula_reduced": "Ba4CaPt",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3052726166666666,
"spacegroup": 216
},
{
"id": "jvasp-63912",
"created_at": "2022-09-04T14:35:41.566678Z",
"updated_at": "2022-09-04T14:35:41.566704Z",
"structure_string": "Ba4 Ca1 Re1\n1.0\n0.000000 4.893248 4.893248\n4.893248 0.000000 4.893248\n4.893248 4.893248 0.000000\nBa Ca Re\n4 1 1\ndirect\n0.119112 0.626963 0.626963 Ba\n0.626963 0.626963 0.626963 Ba\n0.626963 0.119112 0.626963 Ba\n0.626963 0.626963 0.119112 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Re\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Re"
],
"chemical_system": "Ba-Ca-Re",
"density": 5.496184471513298,
"density_atomic": 0.025605282571001184,
"volume": 234.3266465957769,
"volume_molar": 23.519134160309054,
"formula_full": "Ba4 Ca1 Re1",
"formula_reduced": "Ba4CaRe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2203787166666664,
"spacegroup": 216
},
{
"id": "jvasp-64300",
"created_at": "2022-09-04T14:36:16.462565Z",
"updated_at": "2022-09-04T14:36:16.462587Z",
"structure_string": "Ba4 Ca1 Rh1\n1.0\n-0.000000 5.017670 5.017670\n5.017670 -0.000000 5.017670\n5.017670 5.017670 0.000000\nBa Ca Rh\n4 1 1\ndirect\n0.372872 0.881384 0.372872 Ba\n0.372872 0.372872 0.881384 Ba\n0.372872 0.372872 0.372872 Ba\n0.881384 0.372872 0.372872 Ba\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Rh"
],
"chemical_system": "Ba-Ca-Rh",
"density": 4.549899615145003,
"density_atomic": 0.02374733990153738,
"volume": 252.6598779011693,
"volume_molar": 25.359222485420915,
"formula_full": "Ba4 Ca1 Rh1",
"formula_reduced": "Ba4CaRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3876912166666666,
"spacegroup": 216
},
{
"id": "jvasp-64238",
"created_at": "2022-09-04T14:35:41.011219Z",
"updated_at": "2022-09-04T14:35:41.011239Z",
"structure_string": "Ba4 Ca1 Ru1\n1.0\n-0.000000 4.998304 4.998304\n4.998304 0.000000 4.998304\n4.998304 4.998304 -0.000000\nBa Ca Ru\n4 1 1\ndirect\n0.119089 0.626970 0.626970 Ba\n0.626970 0.626970 0.626970 Ba\n0.626970 0.119089 0.626970 Ba\n0.626970 0.626970 0.119089 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Ru"
],
"chemical_system": "Ba-Ca-Ru",
"density": 4.590786647143315,
"density_atomic": 0.02402443897752746,
"volume": 249.7456862827232,
"volume_molar": 25.066727949956004,
"formula_full": "Ba4 Ca1 Ru1",
"formula_reduced": "Ba4CaRu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7239124666666666,
"spacegroup": 216
},
{
"id": "jvasp-64780",
"created_at": "2022-09-04T14:35:42.223568Z",
"updated_at": "2022-09-04T14:35:42.223589Z",
"structure_string": "Ba4 Ca1 Sn1\n1.0\n0.000000 5.160848 5.160848\n5.160848 0.000000 5.160848\n5.160848 5.160848 0.000000\nBa Ca Sn\n4 1 1\ndirect\n0.119196 0.626935 0.626935 Ba\n0.626935 0.626935 0.626935 Ba\n0.626935 0.119196 0.626935 Ba\n0.626935 0.626935 0.119196 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Sn"
],
"chemical_system": "Ba-Ca-Sn",
"density": 4.2770865470680395,
"density_atomic": 0.02182519085382257,
"volume": 274.9116853174794,
"volume_molar": 27.592614425844772,
"formula_full": "Ba4 Ca1 Sn1",
"formula_reduced": "Ba4CaSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-64375",
"created_at": "2022-09-04T14:35:42.513407Z",
"updated_at": "2022-09-04T14:35:42.513418Z",
"structure_string": "Ba4 Ca1 Ta1\n1.0\n0.000000 5.098612 5.098612\n5.098612 0.000000 5.098612\n5.098612 5.098612 0.000000\nBa Ca Ta\n4 1 1\ndirect\n0.120412 0.626529 0.626529 Ba\n0.626529 0.626529 0.626529 Ba\n0.626529 0.120412 0.626529 Ba\n0.626529 0.626529 0.120412 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Ta"
],
"chemical_system": "Ba-Ca-Ta",
"density": 4.825498771524184,
"density_atomic": 0.022634211167787275,
"volume": 265.08544766689835,
"volume_molar": 26.606364654627924,
"formula_full": "Ba4 Ca1 Ta1",
"formula_reduced": "Ba4CaTa",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1431622499999996,
"spacegroup": 216
},
{
"id": "jvasp-64413",
"created_at": "2022-09-04T14:36:15.842034Z",
"updated_at": "2022-09-04T14:36:15.842068Z",
"structure_string": "Ba4 Ca1 Tc1\n1.0\n0.000000 4.958046 4.958046\n4.958046 0.000000 4.958046\n4.958046 4.958046 -0.000000\nBa Ca Tc\n4 1 1\ndirect\n0.119364 0.626879 0.626879 Ba\n0.626879 0.626879 0.626879 Ba\n0.626879 0.119364 0.626879 Ba\n0.626879 0.626879 0.119364 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Tc"
],
"chemical_system": "Ba-Ca-Tc",
"density": 4.682611518659341,
"density_atomic": 0.024614419583327864,
"volume": 243.75955645381103,
"volume_molar": 24.465906009333608,
"formula_full": "Ba4 Ca1 Tc1",
"formula_reduced": "Ba4CaTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9226426333333332,
"spacegroup": 216
}
]
}