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_full&page=403",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=401",
"results": [
{
"id": "jvasp-64678",
"created_at": "2022-09-04T14:37:41.412287Z",
"updated_at": "2022-09-04T14:37:41.412304Z",
"structure_string": "Ba4 Be1 Tl1\n1.0\n-0.000000 5.027233 5.027233\n5.027233 0.000000 5.027233\n5.027233 5.027233 0.000000\nBa Be Tl\n4 1 1\ndirect\n0.124799 0.625067 0.625067 Ba\n0.625067 0.625067 0.625067 Ba\n0.625067 0.124799 0.625067 Ba\n0.625067 0.625067 0.124799 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Tl"
],
"chemical_system": "Ba-Be-Tl",
"density": 4.984111946875143,
"density_atomic": 0.023612078161236692,
"volume": 254.1072394826321,
"volume_molar": 25.504492738324004,
"formula_full": "Ba4 Be1 Tl1",
"formula_reduced": "Ba4BeTl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1499854299999999,
"spacegroup": 216
},
{
"id": "jvasp-66345",
"created_at": "2022-09-04T14:36:06.447304Z",
"updated_at": "2022-09-04T14:36:06.447327Z",
"structure_string": "Ba4 Be1 V1\n1.0\n0.000000 4.903520 4.903520\n4.903520 0.000000 4.903520\n4.903520 4.903520 0.000000\nBa Be V\n4 1 1\ndirect\n0.124952 0.625016 0.625016 Ba\n0.625016 0.625016 0.625016 Ba\n0.625016 0.124952 0.625016 Ba\n0.625016 0.625016 0.124952 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 V\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Be",
"V"
],
"chemical_system": "Ba-Be-V",
"density": 4.290413138743513,
"density_atomic": 0.0254447039218157,
"volume": 235.80545556498848,
"volume_molar": 23.66756075647143,
"formula_full": "Ba4 Be1 V1",
"formula_reduced": "Ba4BeV",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1993373633333333,
"spacegroup": 216
},
{
"id": "jvasp-64216",
"created_at": "2022-09-04T14:36:10.641557Z",
"updated_at": "2022-09-04T14:36:10.641581Z",
"structure_string": "Ba4 Be1 Zn1\n1.0\n0.000000 5.024530 5.024530\n5.024530 -0.000000 5.024530\n5.024530 5.024530 0.000000\nBa Be Zn\n4 1 1\ndirect\n0.125512 0.624830 0.624830 Ba\n0.624830 0.624830 0.624830 Ba\n0.624830 0.125512 0.624830 Ba\n0.624830 0.624830 0.125512 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Zn"
],
"chemical_system": "Ba-Be-Zn",
"density": 4.082524827414831,
"density_atomic": 0.023650205779901824,
"volume": 253.69758114742743,
"volume_molar": 25.46337573568884,
"formula_full": "Ba4 Be1 Zn1",
"formula_reduced": "Ba4BeZn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0003383966666666,
"spacegroup": 216
},
{
"id": "jvasp-21788",
"created_at": "2022-09-04T14:38:27.099264Z",
"updated_at": "2022-09-04T14:38:27.099282Z",
"structure_string": "Ba4 Be4 F16\n1.0\n5.312117 -0.000000 0.000000\n0.000000 7.088717 0.000000\n0.000000 0.000000 8.944869\nBa Be F\n4 4 16\ndirect\n0.250000 0.155320 0.186583 Ba\n0.750000 0.844680 0.813417 Ba\n0.750000 0.655321 0.313417 Ba\n0.250000 0.344680 0.686583 Ba\n0.250000 0.807457 0.555153 Be\n0.250000 0.692543 0.055153 Be\n0.750000 0.307457 0.944847 Be\n0.750000 0.192543 0.444847 Be\n0.488196 0.678764 0.579725 F\n0.988196 0.321237 0.420275 F\n0.250000 0.537495 0.178447 F\n0.750000 0.462505 0.821553 F\n0.750000 0.037495 0.321553 F\n0.250000 0.962505 0.678447 F\n0.250000 0.623025 0.890692 F\n0.988196 0.178764 0.920275 F\n0.750000 0.123024 0.609308 F\n0.250000 0.876976 0.390692 F\n0.011805 0.821237 0.079725 F\n0.511805 0.321237 0.420275 F\n0.011805 0.678764 0.579725 F\n0.488196 0.821237 0.079725 F\n0.750000 0.376976 0.109308 F\n0.511805 0.178764 0.920275 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Be",
"F"
],
"chemical_system": "Ba-Be-F",
"density": 4.384331270587907,
"density_atomic": 0.07125280842934205,
"volume": 336.8288286320621,
"volume_molar": 8.451794241867482,
"formula_full": "Ba4 Be4 F16",
"formula_reduced": "BaBeF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-64636",
"created_at": "2022-09-04T14:36:14.225568Z",
"updated_at": "2022-09-04T14:36:14.225578Z",
"structure_string": "Ba4 Bi1 Br1\n1.0\n-0.000000 5.033477 5.033477\n5.033477 -0.000000 5.033477\n5.033477 5.033477 0.000000\nBa Bi Br\n4 1 1\ndirect\n0.128055 0.623982 0.623982 Ba\n0.623982 0.623982 0.623982 Ba\n0.623982 0.128055 0.623982 Ba\n0.623982 0.623982 0.128055 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Br"
],
"chemical_system": "Ba-Bi-Br",
"density": 5.457057816292975,
"density_atomic": 0.023524315169069533,
"volume": 255.05524632185586,
"volume_molar": 25.59964324877814,
"formula_full": "Ba4 Bi1 Br1",
"formula_reduced": "Ba4BiBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1168819899999999,
"spacegroup": 216
},
{
"id": "jvasp-64733",
"created_at": "2022-09-04T14:37:51.227005Z",
"updated_at": "2022-09-04T14:37:51.227022Z",
"structure_string": "Ba4 Bi1 Cl1\n1.0\n-0.000000 5.012889 5.012889\n5.012889 -0.000000 5.012889\n5.012889 5.012889 -0.000000\nBa Bi Cl\n4 1 1\ndirect\n0.128026 0.623992 0.623992 Ba\n0.623992 0.623992 0.623992 Ba\n0.623992 0.128026 0.623992 Ba\n0.623992 0.623992 0.128026 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Cl"
],
"chemical_system": "Ba-Bi-Cl",
"density": 5.231592037814121,
"density_atomic": 0.023815351192340073,
"volume": 251.93833807203436,
"volume_molar": 25.286802245170964,
"formula_full": "Ba4 Bi1 Cl1",
"formula_reduced": "Ba4BiCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1332653233333333,
"spacegroup": 216
},
{
"id": "jvasp-66088",
"created_at": "2022-09-04T14:36:16.813812Z",
"updated_at": "2022-09-04T14:36:16.813834Z",
"structure_string": "Ba4 Bi1 Ir1\n1.0\n-0.000000 4.801239 4.801239\n4.801239 -0.000000 4.801239\n4.801239 4.801239 -0.000000\nBa Bi Ir\n4 1 1\ndirect\n0.123548 0.625484 0.625484 Ba\n0.625484 0.625484 0.625484 Ba\n0.625484 0.123548 0.625484 Ba\n0.625484 0.625484 0.123548 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Ir"
],
"chemical_system": "Ba-Bi-Ir",
"density": 7.130397065772038,
"density_atomic": 0.027105740684656453,
"volume": 221.35532357528882,
"volume_molar": 22.21721527576226,
"formula_full": "Ba4 Bi1 Ir1",
"formula_reduced": "Ba4BiIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9206098799999995,
"spacegroup": 216
},
{
"id": "jvasp-66481",
"created_at": "2022-09-04T14:36:21.743316Z",
"updated_at": "2022-09-04T14:36:21.743342Z",
"structure_string": "Ba4 Bi1 Mo1\n1.0\n0.000000 4.981150 4.981150\n4.981150 -0.000000 4.981150\n4.981150 4.981150 0.000000\nBa Bi Mo\n4 1 1\ndirect\n0.126568 0.624478 0.624478 Ba\n0.624478 0.624478 0.624478 Ba\n0.624478 0.126568 0.624478 Ba\n0.624478 0.624478 0.126568 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Mo"
],
"chemical_system": "Ba-Bi-Mo",
"density": 5.738577452995871,
"density_atomic": 0.02427349959054003,
"volume": 247.18314627934183,
"volume_molar": 24.80952833989778,
"formula_full": "Ba4 Bi1 Mo1",
"formula_reduced": "Ba4BiMo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2226456799999998,
"spacegroup": 216
},
{
"id": "jvasp-66242",
"created_at": "2022-09-04T14:35:43.078895Z",
"updated_at": "2022-09-04T14:35:43.078923Z",
"structure_string": "Ba4 Bi1 Os1\n1.0\n0.000000 4.816986 4.816986\n4.816986 -0.000000 4.816986\n4.816986 4.816986 -0.000000\nBa Bi Os\n4 1 1\ndirect\n0.123783 0.625406 0.625406 Ba\n0.625406 0.625406 0.625406 Ba\n0.625406 0.123783 0.625406 Ba\n0.625406 0.625406 0.123783 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Os"
],
"chemical_system": "Ba-Bi-Os",
"density": 7.0459362517097786,
"density_atomic": 0.026840778149446465,
"volume": 223.5404639385888,
"volume_molar": 22.43653565656476,
"formula_full": "Ba4 Bi1 Os1",
"formula_reduced": "Ba4BiOs",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.223922196666667,
"spacegroup": 216
},
{
"id": "jvasp-66657",
"created_at": "2022-09-04T14:36:11.250156Z",
"updated_at": "2022-09-04T14:36:11.250182Z",
"structure_string": "Ba4 Bi1 P1\n1.0\n0.000000 4.875146 4.875146\n4.875146 -0.000000 4.875146\n4.875146 4.875146 -0.000000\nBa Bi P\n4 1 1\ndirect\n0.124019 0.625328 0.625328 Ba\n0.625328 0.625328 0.625328 Ba\n0.625328 0.124019 0.625328 Ba\n0.625328 0.625328 0.124019 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"P"
],
"chemical_system": "Ba-Bi-P",
"density": 5.655584628099264,
"density_atomic": 0.02589156938878516,
"volume": 231.73566306099923,
"volume_molar": 23.25907970108783,
"formula_full": "Ba4 Bi1 P1",
"formula_reduced": "Ba4BiP",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5492106133333332,
"spacegroup": 216
},
{
"id": "jvasp-64440",
"created_at": "2022-09-04T14:35:53.377115Z",
"updated_at": "2022-09-04T14:35:53.377146Z",
"structure_string": "Ba4 Bi1 Pb1\n1.0\n0.000000 5.009769 5.009769\n5.009769 0.000000 5.009769\n5.009769 5.009769 -0.000000\nBa Bi Pb\n4 1 1\ndirect\n0.126268 0.624577 0.624577 Ba\n0.624577 0.624577 0.624577 Ba\n0.624577 0.126268 0.624577 Ba\n0.624577 0.624577 0.126268 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Pb"
],
"chemical_system": "Ba-Bi-Pb",
"density": 6.375482513395269,
"density_atomic": 0.02385987431139705,
"volume": 251.46821486540708,
"volume_molar": 25.2396164430901,
"formula_full": "Ba4 Bi1 Pb1",
"formula_reduced": "Ba4BiPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0286281666666666,
"spacegroup": 216
},
{
"id": "jvasp-112705",
"created_at": "2022-09-04T14:38:41.852794Z",
"updated_at": "2022-09-04T14:38:41.852822Z",
"structure_string": "Ba4 Bi1 Pb3 O12\n1.0\n4.352488 0.000000 0.000000\n0.000000 4.352488 0.000000\n-0.000000 -0.000000 17.440280\nBa Bi Pb O\n4 1 3 12\ndirect\n0.500000 0.500000 0.869680 Ba\n0.500000 0.500000 0.623118 Ba\n0.500000 0.500000 0.376882 Ba\n0.500000 0.500000 0.130320 Ba\n0.000000 0.000000 0.000000 Bi\n0.000000 0.000000 0.749082 Pb\n0.000000 0.000000 0.500000 Pb\n0.000000 0.000000 0.250918 Pb\n0.000000 0.000000 0.625444 O\n0.000000 0.000000 0.876256 O\n0.500000 -0.000000 -0.000000 O\n0.500000 -0.000000 0.246374 O\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n-0.000000 0.500000 0.246374 O\n0.000000 0.000000 0.374556 O\n-0.000000 0.500000 0.753626 O\n0.500000 -0.000000 0.753626 O\n0.000000 0.000000 0.123744 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"Pb",
"O"
],
"chemical_system": "Ba-Bi-O-Pb",
"density": 7.900238441958628,
"density_atomic": 0.06053427950086727,
"volume": 330.3913115826127,
"volume_molar": 9.948314921157559,
"formula_full": "Ba4 Bi1 Pb3 O12",
"formula_reduced": "Ba4Bi(PbO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 1.774356632,
"spacegroup": 123
}
]
}