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=created_at&page=711",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=709",
"results": [
{
"id": "jvasp-18403",
"created_at": "2022-09-04T14:36:04.288089Z",
"updated_at": "2022-09-04T14:36:04.288107Z",
"structure_string": "H2 Se1\n1.0\n3.017568 -0.000000 1.742194\n1.005856 2.844990 1.742194\n0.000000 0.000000 3.484387\nH Se\n2 1\ndirect\n0.750002 0.750000 0.749998 H\n0.250001 0.250000 0.249999 H\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
"Se"
],
"chemical_system": "H-Se",
"density": 4.495112644192398,
"density_atomic": 0.10028986811160547,
"volume": 29.913290908524413,
"volume_molar": 6.004734948198743,
"formula_full": "H2 Se1",
"formula_reduced": "H2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 2.212764455555556,
"spacegroup": 225
},
{
"id": "jvasp-74301",
"created_at": "2022-09-04T14:36:04.288196Z",
"updated_at": "2022-09-04T14:36:04.288222Z",
"structure_string": "K2 Ti1 Be1\n1.0\n-2.730028 2.730028 3.860848\n2.730028 -2.730028 3.860848\n2.730028 2.730028 -3.860848\nK Ti Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 Ti\n0.750000 0.250000 0.500000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ti",
"Be"
],
"chemical_system": "Be-K-Ti",
"density": 1.9487211111079283,
"density_atomic": 0.034752263250657535,
"volume": 115.10041723467657,
"volume_molar": 17.328772853048807,
"formula_full": "K2 Ti1 Be1",
"formula_reduced": "K2TiBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2412876083333333,
"spacegroup": 216
},
{
"id": "jvasp-93776",
"created_at": "2022-09-04T14:36:04.289649Z",
"updated_at": "2022-09-04T14:36:04.289670Z",
"structure_string": "Hf2 V4\n1.0\n-2.576408 -2.576408 3.643430\n-2.576408 2.576408 -3.643430\n2.576408 -2.576408 -3.643430\nHf V\n2 4\ndirect\n0.750000 0.625000 0.375000 Hf\n0.250000 0.375000 0.625000 Hf\n0.000000 0.500000 -0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 V\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"V"
],
"chemical_system": "Hf-V",
"density": 9.625328989183457,
"density_atomic": 0.06202282607904769,
"volume": 96.73857802533924,
"volume_molar": 9.709555563180595,
"formula_full": "Hf2 V4",
"formula_reduced": "HfV2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.2082838,
"spacegroup": 227
},
{
"id": "jvasp-97867",
"created_at": "2022-09-04T14:36:04.289974Z",
"updated_at": "2022-09-04T14:36:04.290011Z",
"structure_string": "K4 Nb11 Al2 O20 F1\n1.0\n7.715780 0.000000 -4.404432\n-2.514201 7.294660 -4.404432\n-0.000582 -0.000815 8.959534\nK Nb Al O F\n4 11 2 20 1\ndirect\n0.500000 0.808217 0.000000 K\n0.191783 0.500000 0.000000 K\n0.808217 0.500000 0.000000 K\n0.500000 0.191783 0.000000 K\n0.324236 0.000728 0.324965 Nb\n0.316447 0.316446 0.632893 Nb\n0.000000 0.000000 0.000000 Nb\n0.000728 0.324236 0.324965 Nb\n0.324236 0.324236 0.324965 Nb\n0.683553 0.683553 0.367107 Nb\n0.000728 0.000728 0.324965 Nb\n0.675764 0.675763 0.675035 Nb\n0.999272 0.675763 0.675035 Nb\n0.675764 0.999271 0.675035 Nb\n0.999272 0.999271 0.675035 Nb\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.170332 0.170332 0.000000 O\n0.834239 0.494555 0.668478 O\n0.165761 0.826078 0.331522 O\n0.173922 0.834239 0.668478 O\n0.165761 0.505444 0.331522 O\n0.839061 0.839060 0.347115 O\n0.491945 0.491945 0.652885 O\n0.494556 0.834239 0.668478 O\n0.160940 0.491945 0.652885 O\n0.508055 0.839060 0.347115 O\n0.839061 0.508054 0.347115 O\n0.829668 0.170332 0.000000 O\n0.829668 0.829668 0.000000 O\n0.508055 0.508054 0.347115 O\n0.160940 0.160939 0.652885 O\n0.505445 0.165761 0.331522 O\n0.826078 0.165761 0.331522 O\n0.834239 0.173922 0.668477 O\n0.491945 0.160939 0.652885 O\n0.170332 0.829668 0.000000 O\n0.500000 0.500000 0.000000 F\n",
"nsites": 38,
"nelements": 5,
"elements": [
"K",
"Nb",
"Al",
"O",
"F"
],
"chemical_system": "Al-F-K-Nb-O",
"density": 5.174747721269667,
"density_atomic": 0.07536349245921883,
"volume": 504.2229169589347,
"volume_molar": 7.990793106169727,
"formula_full": "K4 Nb11 Al2 O20 F1",
"formula_reduced": "K4Nb11Al2O20F",
"formula_anonymous": "AB2C4D11E20",
"energy_above_hull": 3.6205245074342094,
"spacegroup": 139
},
{
"id": "jvasp-90612",
"created_at": "2022-09-04T14:36:04.290760Z",
"updated_at": "2022-09-04T14:36:04.290779Z",
"structure_string": "In2 Ru6\n1.0\n0.000000 -0.000000 -4.530640\n-2.807075 -4.862879 -0.000000\n-2.807075 4.862879 0.000000\nIn Ru\n2 6\ndirect\n0.750000 0.666761 0.333237 In\n0.250000 0.333237 0.666761 In\n0.750000 0.164594 0.328919 Ru\n0.750000 0.164388 0.835610 Ru\n0.750000 0.671079 0.835405 Ru\n0.250000 0.835405 0.671079 Ru\n0.250000 0.835610 0.164388 Ru\n0.250000 0.328919 0.164594 Ru\n",
"nsites": 8,
"nelements": 2,
"elements": [
"In",
"Ru"
],
"chemical_system": "In-Ru",
"density": 11.223994236862067,
"density_atomic": 0.0646774600813062,
"volume": 123.69069518102874,
"volume_molar": 9.311034713530109,
"formula_full": "In2 Ru6",
"formula_reduced": "InRu3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.332472867500001,
"spacegroup": 194
},
{
"id": "jvasp-74209",
"created_at": "2022-09-04T14:36:04.296108Z",
"updated_at": "2022-09-04T14:36:04.296141Z",
"structure_string": "Be2 Zn1 Mo1\n1.0\n-1.705625 1.705625 4.091714\n1.705625 -1.705625 4.091714\n1.705625 1.705625 -4.091714\nBe Zn Mo\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Zn\n0.500000 0.500000 0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Mo"
],
"chemical_system": "Be-Mo-Zn",
"density": 6.255682278247368,
"density_atomic": 0.08400934988867573,
"volume": 47.61374781855312,
"volume_molar": 7.168417286861746,
"formula_full": "Be2 Zn1 Mo1",
"formula_reduced": "Be2ZnMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.066442125,
"spacegroup": 119
},
{
"id": "jvasp-67462",
"created_at": "2022-09-04T14:36:04.299576Z",
"updated_at": "2022-09-04T14:36:04.299593Z",
"structure_string": "Ta1 Be1 Tc1\n1.0\n-1.373199 1.373199 5.488791\n1.373199 -1.373199 5.488791\n1.373199 1.373199 -5.488791\nTa Be Tc\n1 1 1\ndirect\n0.347746 0.347746 0.000000 Ta\n0.008678 0.008678 0.000000 Be\n0.643576 0.643576 0.000000 Tc\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Tc"
],
"chemical_system": "Be-Ta-Tc",
"density": 11.54988641726012,
"density_atomic": 0.07246321726808347,
"volume": 41.40031471279091,
"volume_molar": 8.310617423624194,
"formula_full": "Ta1 Be1 Tc1",
"formula_reduced": "TaBeTc",
"formula_anonymous": "ABC",
"energy_above_hull": 4.186695599999999,
"spacegroup": 107
},
{
"id": "jvasp-69094",
"created_at": "2022-09-04T14:36:04.302126Z",
"updated_at": "2022-09-04T14:36:04.302164Z",
"structure_string": "Ba1 Co1 Br2\n1.0\n5.101830 0.000000 0.000000\n-0.000000 5.101830 0.000000\n-0.000000 -0.000000 4.207932\nBa Co Br\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Co",
"Br"
],
"chemical_system": "Ba-Br-Co",
"density": 5.398356992679598,
"density_atomic": 0.036520718390904275,
"volume": 109.52687067065544,
"volume_molar": 16.489655804525068,
"formula_full": "Ba1 Co1 Br2",
"formula_reduced": "BaCoBr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5596737700000001,
"spacegroup": 123
},
{
"id": "jvasp-105942",
"created_at": "2022-09-04T14:36:04.306509Z",
"updated_at": "2022-09-04T14:36:04.306532Z",
"structure_string": "Mn1 Co3 C1\n1.0\n3.748234 0.000000 0.000000\n-0.000000 3.748234 0.000000\n-0.000000 -0.000000 3.748234\nMn Co C\n1 3 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Co",
"C"
],
"chemical_system": "C-Co-Mn",
"density": 7.68618191303613,
"density_atomic": 0.09494889545143868,
"volume": 52.65990695549728,
"volume_molar": 6.342507441890153,
"formula_full": "Mn1 Co3 C1",
"formula_reduced": "MnCo3C",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.303305988275862,
"spacegroup": 221
},
{
"id": "jvasp-62649",
"created_at": "2022-09-04T14:36:04.306892Z",
"updated_at": "2022-09-04T14:36:04.306921Z",
"structure_string": "La2 B4 C4\n1.0\n5.399762 0.000000 -0.000000\n-0.000000 5.399762 -0.000000\n0.000000 -0.000000 3.989334\nLa B C\n2 4 4\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.000000 La\n0.861603 0.361603 0.499999 B\n0.138396 0.638396 0.499999 B\n0.361603 0.138396 0.499999 B\n0.638396 0.861603 0.499999 B\n0.660664 0.160664 0.499999 C\n0.339336 0.839336 0.499999 C\n0.160664 0.339336 0.499999 C\n0.839336 0.660664 0.499999 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"B",
"C"
],
"chemical_system": "B-C-La",
"density": 5.269153475717554,
"density_atomic": 0.08597068063266959,
"volume": 116.31872548185822,
"volume_molar": 7.0048773787554905,
"formula_full": "La2 B4 C4",
"formula_reduced": "La(BC)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.774956033333334,
"spacegroup": 127
},
{
"id": "jvasp-65235",
"created_at": "2022-09-04T14:36:04.308370Z",
"updated_at": "2022-09-04T14:36:04.308392Z",
"structure_string": "Be1 In1 Ga4\n1.0\n-0.000000 3.915913 3.915913\n3.915913 -0.000000 3.915913\n3.915913 3.915913 0.000000\nBe In Ga\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 In\n0.122931 0.625690 0.625690 Ga\n0.625690 0.625690 0.625690 Ga\n0.625690 0.122931 0.625690 Ga\n0.625690 0.625690 0.122931 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"In",
"Ga"
],
"chemical_system": "Be-Ga-In",
"density": 5.568337491622704,
"density_atomic": 0.04995996796420662,
"volume": 120.09615387060792,
"volume_molar": 12.053932389056994,
"formula_full": "Be1 In1 Ga4",
"formula_reduced": "BeInGa4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-74258",
"created_at": "2022-09-04T14:36:04.310043Z",
"updated_at": "2022-09-04T14:36:04.310066Z",
"structure_string": "Ta1 Be2 Tc1\n1.0\n3.161113 0.000000 -0.000000\n0.000000 3.161113 0.000000\n-0.000000 0.000000 5.289405\nTa Be Tc\n1 2 1\ndirect\n0.000000 0.000000 0.506252 Ta\n0.000000 0.000000 0.004181 Be\n0.500000 0.500000 0.228982 Be\n0.500000 0.500000 0.760584 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Tc"
],
"chemical_system": "Be-Ta-Tc",
"density": 9.329923763705548,
"density_atomic": 0.07567860679198087,
"volume": 52.855095641425734,
"volume_molar": 7.9575206458982075,
"formula_full": "Ta1 Be2 Tc1",
"formula_reduced": "TaBe2Tc",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.983725725,
"spacegroup": 99
}
]
}