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=-updated_at&page=4158",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=4156",
"results": [
{
"id": "jvasp-66298",
"created_at": "2022-09-04T14:35:56.812789Z",
"updated_at": "2022-09-04T14:35:56.812820Z",
"structure_string": "Ba1 Na1 Zr1\n1.0\n0.000000 3.838017 3.838017\n3.838017 0.000000 3.838017\n3.838017 3.838017 0.000000\nBa Na Zr\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Zr\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Zr"
],
"chemical_system": "Ba-Na-Zr",
"density": 3.694084321049171,
"density_atomic": 0.02653203593838709,
"volume": 113.07085543554308,
"volume_molar": 22.69762024288172,
"formula_full": "Ba1 Na1 Zr1",
"formula_reduced": "BaNaZr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.425193156666667,
"spacegroup": 216
},
{
"id": "jvasp-87061",
"created_at": "2022-09-04T14:35:56.811430Z",
"updated_at": "2022-09-04T14:35:56.811454Z",
"structure_string": "Li4 Ce4 O8\n1.0\n5.778141 -0.081028 0.000000\n-1.336379 5.705427 0.000000\n0.000000 0.000000 6.029586\nLi Ce O\n4 4 8\ndirect\n0.182502 0.662954 0.132604 Li\n0.317497 0.337046 0.632605 Li\n0.817497 0.337046 0.867396 Li\n0.682502 0.662954 0.367396 Li\n0.303409 0.200495 0.071539 Ce\n0.803409 0.200495 0.428461 Ce\n0.696590 0.799505 0.928462 Ce\n0.196591 0.799505 0.571539 Ce\n0.986063 0.906145 0.246099 O\n0.696592 0.434650 0.136137 O\n0.513937 0.093855 0.746099 O\n0.013937 0.093855 0.753902 O\n0.303408 0.565351 0.863864 O\n0.803407 0.565350 0.636137 O\n0.196592 0.434650 0.363864 O\n0.486063 0.906145 0.253901 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Ce",
"O"
],
"chemical_system": "Ce-Li-O",
"density": 6.00291993623671,
"density_atomic": 0.08075790639458874,
"volume": 198.12301623847068,
"volume_molar": 7.457029322398976,
"formula_full": "Li4 Ce4 O8",
"formula_reduced": "LiCeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1793106249999998,
"spacegroup": 14
},
{
"id": "jvasp-64803",
"created_at": "2022-09-04T14:35:56.805885Z",
"updated_at": "2022-09-04T14:35:56.805913Z",
"structure_string": "Ba4 Co1 Cl1\n1.0\n0.000000 4.929847 4.929847\n4.929847 -0.000000 4.929847\n4.929847 4.929847 -0.000000\nBa Co Cl\n4 1 1\ndirect\n0.124116 0.625295 0.625295 Ba\n0.625295 0.625295 0.625295 Ba\n0.625295 0.124116 0.625295 Ba\n0.625295 0.625295 0.124116 Ba\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Co",
"Cl"
],
"chemical_system": "Ba-Cl-Co",
"density": 4.460652293914821,
"density_atomic": 0.025039227832081148,
"volume": 239.62400279423102,
"volume_molar": 24.050824571691543,
"formula_full": "Ba4 Co1 Cl1",
"formula_reduced": "Ba4CoCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5408131412499999,
"spacegroup": 216
},
{
"id": "jvasp-66461",
"created_at": "2022-09-04T14:35:56.798983Z",
"updated_at": "2022-09-04T14:35:56.799014Z",
"structure_string": "Ba4 Co1 Rh1\n1.0\n0.000000 4.718490 4.718490\n4.718490 -0.000000 4.718490\n4.718490 4.718490 0.000000\nBa Co Rh\n4 1 1\ndirect\n0.124378 0.625207 0.625207 Ba\n0.625207 0.625207 0.625207 Ba\n0.625207 0.124378 0.625207 Ba\n0.625207 0.625207 0.124378 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Co",
"Rh"
],
"chemical_system": "Ba-Co-Rh",
"density": 5.620425310870348,
"density_atomic": 0.028556970821463044,
"volume": 210.1063182615461,
"volume_molar": 21.08816371893982,
"formula_full": "Ba4 Co1 Rh1",
"formula_reduced": "Ba4CoRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1577479633333332,
"spacegroup": 216
},
{
"id": "jvasp-92178",
"created_at": "2022-09-04T14:35:56.796960Z",
"updated_at": "2022-09-04T14:35:56.796986Z",
"structure_string": "Zr4 Sn4\n1.0\n5.812225 -0.000000 0.000000\n-0.000000 5.254411 0.000000\n0.000000 0.000000 5.958457\nZr Sn\n4 4\ndirect\n0.103541 0.250000 0.875761 Zr\n0.603540 0.250000 0.624240 Zr\n0.396459 0.750000 0.375761 Zr\n0.896459 0.750000 0.124240 Zr\n0.114554 0.250000 0.375072 Sn\n0.614554 0.250000 0.124928 Sn\n0.385445 0.750000 0.875073 Sn\n0.885445 0.750000 0.624928 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.662872535328522,
"density_atomic": 0.043963242780715665,
"volume": 181.9701981471934,
"volume_molar": 13.698126842093624,
"formula_full": "Zr4 Sn4",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy_above_hull": 1.3797631,
"spacegroup": 62
},
{
"id": "jvasp-90058",
"created_at": "2022-09-04T14:35:56.795827Z",
"updated_at": "2022-09-04T14:35:56.795846Z",
"structure_string": "Sc3 P3 Ir3\n1.0\n0.000000 0.000000 -3.927561\n-3.192660 -5.529849 0.000000\n-3.192641 5.529838 0.000000\nSc P Ir\n3 3 3\ndirect\n0.500000 0.581753 -0.000000 Sc\n0.500000 0.418271 0.418260 Sc\n0.500000 0.000010 0.581740 Sc\n0.000000 0.666677 0.333332 P\n0.000000 0.333344 0.666668 P\n0.500000 0.000010 -0.000000 P\n0.000000 0.250462 -0.000000 Ir\n0.000000 0.749560 0.749548 Ir\n0.000000 0.000012 0.250452 Ir\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sc",
"P",
"Ir"
],
"chemical_system": "Ir-P-Sc",
"density": 9.632202687524224,
"density_atomic": 0.06489710974356554,
"volume": 138.68106045958908,
"volume_molar": 9.27952074259684,
"formula_full": "Sc3 P3 Ir3",
"formula_reduced": "ScPIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.620880616666666,
"spacegroup": 189
},
{
"id": "jvasp-64544",
"created_at": "2022-09-04T14:35:56.793681Z",
"updated_at": "2022-09-04T14:35:56.793708Z",
"structure_string": "Ba4 Zn1 Te1\n1.0\n-0.000000 5.043025 5.043025\n5.043025 0.000000 5.043025\n5.043025 5.043025 0.000000\nBa Zn Te\n4 1 1\ndirect\n0.128550 0.623817 0.623817 Ba\n0.623817 0.623817 0.623817 Ba\n0.623817 0.128550 0.623817 Ba\n0.623817 0.623817 0.128550 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Te"
],
"chemical_system": "Ba-Te-Zn",
"density": 4.805461974386776,
"density_atomic": 0.023390951658053452,
"volume": 256.5094438102613,
"volume_molar": 25.74559961491174,
"formula_full": "Ba4 Zn1 Te1",
"formula_reduced": "Ba4ZnTe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-93816",
"created_at": "2022-09-04T14:35:56.787789Z",
"updated_at": "2022-09-04T14:35:56.787815Z",
"structure_string": "Li1 Ti1 S2 O2\n1.0\n-1.612110 -2.974243 0.453504\n-1.769714 3.065236 -0.000000\n1.217705 0.703042 -9.399373\nLi Ti S O\n1 1 2 2\ndirect\n0.000001 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.478457 0.739229 0.154761 S\n0.521543 0.260772 0.845239 S\n0.102646 0.551323 0.443851 O\n0.897354 0.448678 0.556149 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Li",
"Ti",
"S",
"O"
],
"chemical_system": "Li-O-S-Ti",
"density": 2.675905396946221,
"density_atomic": 0.06405864825445899,
"volume": 93.66416812553257,
"volume_molar": 9.400980077004375,
"formula_full": "Li1 Ti1 S2 O2",
"formula_reduced": "LiTi(SO)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.236497555555556,
"spacegroup": 12
},
{
"id": "jvasp-67130",
"created_at": "2022-09-04T14:35:56.787391Z",
"updated_at": "2022-09-04T14:35:56.787425Z",
"structure_string": "Be2 Re1 Ir1\n1.0\n2.784352 -0.000000 -0.000000\n0.000000 2.784352 0.000000\n0.000000 0.000000 5.833946\nBe Re Ir\n2 1 1\ndirect\n0.000000 0.000000 0.775388 Be\n0.000000 0.000000 0.224613 Be\n0.500000 0.500000 0.500000 Re\n0.500000 0.500000 0.000000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Re",
"Ir"
],
"chemical_system": "Be-Ir-Re",
"density": 14.555430202904105,
"density_atomic": 0.08844011729561384,
"volume": 45.228343452212705,
"volume_molar": 6.809286265271232,
"formula_full": "Be2 Re1 Ir1",
"formula_reduced": "Be2ReIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.747182825,
"spacegroup": 123
},
{
"id": "jvasp-15990",
"created_at": "2022-09-04T14:35:56.787357Z",
"updated_at": "2022-09-04T14:35:56.787386Z",
"structure_string": "Ho1 Sb2\n1.0\n3.555239 -0.098772 0.000000\n-1.863047 3.029610 0.000000\n0.000000 0.000000 8.457473\nHo Sb\n1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n-0.000000 0.500000 0.297263 Sb\n0.500000 0.000000 0.702737 Sb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ho",
"Sb"
],
"chemical_system": "Ho-Sb",
"density": 7.574884321397474,
"density_atomic": 0.0335049459429511,
"volume": 89.53901925727928,
"volume_molar": 17.97388591598955,
"formula_full": "Ho1 Sb2",
"formula_reduced": "HoSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2958192555555557,
"spacegroup": 21
},
{
"id": "jvasp-90869",
"created_at": "2022-09-04T14:35:56.787121Z",
"updated_at": "2022-09-04T14:35:56.787157Z",
"structure_string": "Fe4 B4\n1.0\n2.933552 0.000000 -0.000000\n-0.000000 2.933552 -0.000000\n-1.466776 -1.466776 7.469224\nFe B\n4 4\ndirect\n0.678949 0.928949 0.357900 Fe\n0.928948 0.678948 0.857900 Fe\n0.321049 0.071049 0.642099 Fe\n0.071050 0.321049 0.142100 Fe\n0.215281 0.465282 0.430564 B\n0.465281 0.215280 0.930564 B\n0.784716 0.534716 0.569435 B\n0.534717 0.784717 0.069436 B\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Fe",
"B"
],
"chemical_system": "B-Fe",
"density": 6.887875225721495,
"density_atomic": 0.12445917595099054,
"volume": 64.2781051607656,
"volume_molar": 4.838647463302662,
"formula_full": "Fe4 B4",
"formula_reduced": "FeB",
"formula_anonymous": "AB",
"energy_above_hull": 2.457994041666667,
"spacegroup": 141
},
{
"id": "jvasp-42333",
"created_at": "2022-09-04T14:35:56.783312Z",
"updated_at": "2022-09-04T14:35:56.783342Z",
"structure_string": "Mn8 O4 F12\n1.0\n4.780361 -0.142827 -0.000000\n-0.142827 4.780361 0.000000\n0.000000 0.000000 12.668204\nMn O F\n8 4 12\ndirect\n0.964545 0.964545 0.999599 Mn\n0.964545 0.964545 0.250401 Mn\n0.035454 0.035454 0.499599 Mn\n0.035454 0.035454 0.750401 Mn\n0.497781 0.497781 0.625000 Mn\n0.502218 0.502218 0.125000 Mn\n0.500000 0.500000 0.375000 Mn\n0.500000 0.500000 0.875000 Mn\n0.673031 0.673031 0.998073 O\n0.673031 0.673031 0.251928 O\n0.326968 0.326968 0.498072 O\n0.326968 0.326968 0.751928 O\n0.829993 0.221976 0.625000 F\n0.170006 0.778023 0.125000 F\n0.200836 0.799163 0.375000 F\n0.221976 0.829993 0.625000 F\n0.200836 0.799163 0.875000 F\n0.276657 0.276657 0.005212 F\n0.276657 0.276657 0.244788 F\n0.723343 0.723343 0.505212 F\n0.723343 0.723343 0.744787 F\n0.778023 0.170006 0.125000 F\n0.799163 0.200836 0.375000 F\n0.799163 0.200836 0.875000 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.199568212824498,
"density_atomic": 0.08297794334327767,
"volume": 289.2334882381045,
"volume_molar": 7.257519911148624,
"formula_full": "Mn8 O4 F12",
"formula_reduced": "Mn2OF3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.5550714717097702,
"spacegroup": 63
}
]
}