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=3571",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3569",
"results": [
{
"id": "jvasp-44767",
"created_at": "2022-09-04T14:38:07.740561Z",
"updated_at": "2022-09-04T14:38:07.740588Z",
"structure_string": "Li2 V2 Fe2 O8\n1.0\n5.839708 -0.239325 -0.090237\n0.207213 5.840936 0.090237\n-3.007133 -2.818431 4.145023\nLi V Fe O\n2 2 2 8\ndirect\n0.000000 -0.000000 0.500000 Li\n-0.000000 0.500001 0.000000 Li\n0.376928 0.626928 0.750000 V\n0.623072 0.373072 0.250000 V\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000001 0.499999 Fe\n0.253576 0.255769 0.502193 O\n0.261916 0.752920 0.508997 O\n0.743923 0.752920 0.991002 O\n0.746424 0.248617 0.002193 O\n0.253575 0.751382 -0.002193 O\n0.256077 0.247080 0.008997 O\n0.738084 0.247080 0.491002 O\n0.746424 0.744231 0.497806 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-V",
"density": 4.168132996521929,
"density_atomic": 0.09886481163375929,
"volume": 141.60751200196927,
"volume_molar": 6.091288356780345,
"formula_full": "Li2 V2 Fe2 O8",
"formula_reduced": "LiVFeO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.645913385714286,
"spacegroup": 74
},
{
"id": "jvasp-51034",
"created_at": "2022-09-04T14:37:56.787549Z",
"updated_at": "2022-09-04T14:37:56.787572Z",
"structure_string": "U2 H4 O8\n1.0\n1.742361 5.133039 0.000000\n-1.742361 5.133039 0.000000\n0.000000 0.000000 8.979310\nU H O\n2 4 8\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.232652 0.232652 0.622114 H\n0.767348 0.767348 0.377886 H\n0.267348 0.267348 0.122114 H\n0.732652 0.732652 0.877886 H\n0.330662 0.330662 0.611766 O\n0.669338 0.669338 0.388234 O\n0.169338 0.169338 0.111766 O\n0.830662 0.830662 0.888234 O\n0.071119 0.071119 0.614913 O\n0.928881 0.928881 0.385087 O\n0.428881 0.428881 0.114913 O\n0.571119 0.571119 0.885087 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"U",
"H",
"O"
],
"chemical_system": "H-O-U",
"density": 6.286769888851554,
"density_atomic": 0.08716504710620782,
"volume": 160.61483891520703,
"volume_molar": 6.908894057800731,
"formula_full": "U2 H4 O8",
"formula_reduced": "U(HO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.0788542857142858,
"spacegroup": 64
},
{
"id": "jvasp-9672",
"created_at": "2022-09-04T14:37:56.668922Z",
"updated_at": "2022-09-04T14:37:56.668949Z",
"structure_string": "Mg2 Sn4 O8\n1.0\n5.819260 -0.000000 -3.055186\n-1.604011 5.593831 -3.055186\n-0.269003 -0.356981 6.557237\nMg Sn O\n2 4 8\ndirect\n0.375000 0.625000 0.750000 Mg\n0.625000 0.375000 0.250000 Mg\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 -0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.753353 0.760089 0.506706 O\n0.753384 0.246648 0.993293 O\n0.239912 0.246648 0.993294 O\n0.246648 0.239911 0.493293 O\n0.246648 0.753383 0.493293 O\n0.246617 0.753352 0.006706 O\n0.753353 0.246617 0.506707 O\n0.760089 0.753352 0.006706 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 5.388344228209676,
"density_atomic": 0.06973589548830272,
"volume": 200.7574420887492,
"volume_molar": 8.635639820542828,
"formula_full": "Mg2 Sn4 O8",
"formula_reduced": "Mg(SnO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3280209214285712,
"spacegroup": 227
},
{
"id": "jvasp-58584",
"created_at": "2022-09-04T14:38:09.252576Z",
"updated_at": "2022-09-04T14:38:09.252604Z",
"structure_string": "Mg2 Cu4 O8\n1.0\n5.877297 -0.009158 0.029087\n2.930718 5.094467 0.029087\n2.959754 1.708816 4.833259\nMg Cu O\n2 4 8\ndirect\n0.124999 0.625001 0.625001 Mg\n0.625000 0.125000 0.625001 Mg\n0.988769 0.988768 0.011233 Cu\n0.261232 0.261232 0.238769 Cu\n0.625000 0.625000 0.125001 Cu\n0.624999 0.625000 0.625001 Cu\n0.394311 0.394311 0.370407 O\n0.391284 0.859363 0.374677 O\n0.394310 0.394311 0.840972 O\n0.859362 0.391285 0.374677 O\n0.390637 0.858716 0.875325 O\n0.858715 0.390638 0.875325 O\n0.855689 0.855689 0.409030 O\n0.855688 0.855690 0.879594 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"O"
],
"chemical_system": "Cu-Mg-O",
"density": 4.958706384488566,
"density_atomic": 0.09704709167107417,
"volume": 144.25986146448153,
"volume_molar": 6.205379941122911,
"formula_full": "Mg2 Cu4 O8",
"formula_reduced": "Mg(CuO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1231934214285713,
"spacegroup": 74
},
{
"id": "jvasp-36753",
"created_at": "2022-09-04T14:38:07.959376Z",
"updated_at": "2022-09-04T14:38:07.959402Z",
"structure_string": "Mg2 Cr4 Se8\n1.0\n7.581336 0.000206 0.000185\n3.790579 6.565724 0.000238\n3.790504 2.188584 6.190213\nMg Cr Se\n2 4 8\ndirect\n0.875008 0.874995 0.874995 Mg\n0.125007 0.124996 0.124999 Mg\n0.499998 0.499992 0.500007 Cr\n0.499990 0.000003 0.499991 Cr\n0.500008 0.499999 0.999996 Cr\n0.999996 0.500009 0.500011 Cr\n0.737467 0.737505 0.737472 Se\n0.262532 0.712439 0.262519 Se\n0.712440 0.262506 0.262523 Se\n0.262519 0.262506 0.712446 Se\n0.287563 0.737467 0.737478 Se\n0.737473 0.737469 0.287578 Se\n0.262500 0.262548 0.262511 Se\n0.737492 0.287564 0.737483 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Se"
],
"chemical_system": "Cr-Mg-Se",
"density": 4.7871715202443745,
"density_atomic": 0.04543711835666154,
"volume": 308.1181313063499,
"volume_molar": 13.253791124535727,
"formula_full": "Mg2 Cr4 Se8",
"formula_reduced": "Mg(CrSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.2226853309523817,
"spacegroup": 227
},
{
"id": "jvasp-9164",
"created_at": "2022-09-04T14:38:07.980535Z",
"updated_at": "2022-09-04T14:38:07.980558Z",
"structure_string": "Nb4 O10\n1.0\n4.622615 0.000000 -1.771761\n-0.521199 5.448243 -1.359834\n0.011119 0.013327 6.945210\nNb O\n4 10\ndirect\n0.380795 0.250348 0.280115 Nb\n0.100680 0.249652 0.719886 Nb\n0.619206 0.749652 0.719886 Nb\n0.899321 0.750348 0.280115 Nb\n0.721644 0.372233 0.588084 O\n0.133561 0.127767 0.411917 O\n0.278357 0.627767 0.411917 O\n0.866440 0.872233 0.588084 O\n0.899602 0.750000 0.000001 O\n0.100399 0.250000 0.000000 O\n0.335369 0.531074 0.781880 O\n0.553490 0.968926 0.218121 O\n0.664632 0.468926 0.218121 O\n0.446511 0.031074 0.781880 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Nb",
"O"
],
"chemical_system": "Nb-O",
"density": 5.0409882926230285,
"density_atomic": 0.07994544201358599,
"volume": 175.119427041517,
"volume_molar": 7.532813138961184,
"formula_full": "Nb4 O10",
"formula_reduced": "Nb2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.366798042857143,
"spacegroup": 15
},
{
"id": "jvasp-9918",
"created_at": "2022-09-04T14:38:08.032412Z",
"updated_at": "2022-09-04T14:38:08.032430Z",
"structure_string": "Zn2 Sb4 O8\n1.0\n3.379191 -0.000000 -0.000000\n-1.689595 5.041301 -0.000000\n0.000000 0.000000 14.585931\nZn Sb O\n2 4 8\ndirect\n0.417395 0.834792 0.750000 Zn\n0.582603 0.165208 0.250000 Zn\n0.862783 0.725569 0.062703 Sb\n0.137215 0.274431 0.937297 Sb\n0.862783 0.725569 0.437297 Sb\n0.137215 0.274431 0.562703 Sb\n0.220476 0.440953 0.434028 O\n0.779522 0.559047 0.565972 O\n0.779522 0.559047 0.934028 O\n0.220476 0.440953 0.065972 O\n0.034708 0.069417 0.250000 O\n-0.034708 -0.069417 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Sb",
"O"
],
"chemical_system": "O-Sb-Zn",
"density": 4.984400508732156,
"density_atomic": 0.05634281125219189,
"volume": 248.47890420901498,
"volume_molar": 10.688392407408893,
"formula_full": "Zn2 Sb4 O8",
"formula_reduced": "Zn(SbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6797837999999998,
"spacegroup": 63
},
{
"id": "jvasp-10835",
"created_at": "2022-09-04T14:37:56.514335Z",
"updated_at": "2022-09-04T14:37:56.514351Z",
"structure_string": "Ca2 Cr4 S8\n1.0\n6.446981 0.000000 3.722167\n2.148993 6.078272 3.722167\n-0.000000 -0.000000 7.444332\nCa Cr S\n2 4 8\ndirect\n0.875000 0.874999 0.875001 Ca\n0.125000 0.125000 0.125000 Ca\n0.500001 0.500000 0.500000 Cr\n0.500001 0.500000 0.000001 Cr\n-0.000000 0.500000 0.500000 Cr\n0.500001 0.000000 0.500000 Cr\n0.731003 0.731002 0.731005 S\n0.268997 0.268997 0.693010 S\n0.268998 0.693007 0.268998 S\n0.693009 0.268997 0.268998 S\n0.731002 0.306991 0.731003 S\n0.306991 0.731002 0.731003 S\n0.268997 0.268997 0.268998 S\n0.731003 0.731002 0.306991 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"S"
],
"chemical_system": "Ca-Cr-S",
"density": 3.100363702539926,
"density_atomic": 0.047991661010199055,
"volume": 291.7173464161776,
"volume_molar": 12.548306587513592,
"formula_full": "Ca2 Cr4 S8",
"formula_reduced": "Ca(CrS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.5693064600000004,
"spacegroup": 227
},
{
"id": "jvasp-12398",
"created_at": "2022-09-04T14:38:09.933428Z",
"updated_at": "2022-09-04T14:38:09.933448Z",
"structure_string": "Al4 Pb2 O8\n1.0\n5.141453 -0.000000 0.000000\n-2.570726 4.637295 -0.000000\n0.000000 -0.000000 8.529847\nAl Pb O\n4 2 8\ndirect\n0.640298 0.344531 0.445820 Al\n0.295768 0.655470 0.554180 Al\n0.640298 0.344531 0.054180 Al\n0.295768 0.655470 0.945820 Al\n0.028029 0.054208 0.250000 Pb\n0.973820 0.945793 0.750000 Pb\n0.538403 0.375574 0.250000 O\n0.162829 0.624427 0.750000 O\n0.354261 0.000000 0.500000 O\n0.354261 0.000000 0.000000 O\n0.000796 0.378463 0.445414 O\n0.622333 0.621538 0.554586 O\n0.622333 0.621538 0.945414 O\n0.000796 0.378463 0.054586 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Pb",
"O"
],
"chemical_system": "Al-O-Pb",
"density": 5.309886974239731,
"density_atomic": 0.06883926108617687,
"volume": 203.37231659814026,
"volume_molar": 8.748119408866321,
"formula_full": "Al4 Pb2 O8",
"formula_reduced": "Al2PbO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7736943457142855,
"spacegroup": 40
},
{
"id": "jvasp-47336",
"created_at": "2022-09-04T14:38:08.113830Z",
"updated_at": "2022-09-04T14:38:08.113855Z",
"structure_string": "Li5 V1 F8\n1.0\n5.882463 -0.131045 -0.082328\n3.054720 -5.028840 -0.082328\n2.970622 1.550108 -4.837344\nLi V F\n5 1 8\ndirect\n0.000000 -0.000000 0.500000 Li\n-0.000000 0.500000 0.000000 Li\n0.500000 -0.000000 0.000000 Li\n0.500000 -0.000001 0.500000 Li\n0.500000 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 V\n0.000000 0.234331 0.234331 F\n0.007493 0.232448 0.760059 F\n0.992507 0.767550 0.239941 F\n0.000000 0.765668 0.765668 F\n0.527611 0.232448 0.239941 F\n0.500000 0.229431 0.729432 F\n0.500000 0.770567 0.270568 F\n0.472389 0.767550 0.760059 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.8120488225318807,
"density_atomic": 0.09976856321602885,
"volume": 140.32476311887746,
"volume_molar": 6.036110540110976,
"formula_full": "Li5 V1 F8",
"formula_reduced": "Li5VF8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 0.36848689,
"spacegroup": 71
},
{
"id": "jvasp-10105",
"created_at": "2022-09-04T14:37:56.479372Z",
"updated_at": "2022-09-04T14:37:56.479392Z",
"structure_string": "K3 Na1 P2 O6 F2\n1.0\n2.873224 -4.976570 0.000000\n2.873224 4.976570 -0.000000\n0.000000 0.000000 7.369548\nK Na P O F\n3 1 2 6 2\ndirect\n0.333332 0.666666 0.168517 K\n0.000000 0.000000 0.500000 K\n0.666666 0.333332 0.831483 K\n0.000000 0.000000 0.000000 Na\n0.666666 0.333332 0.255405 P\n0.333332 0.666666 0.744596 P\n0.370295 0.185147 0.206563 O\n0.814852 0.185147 0.206563 O\n0.185147 0.814852 0.793437 O\n0.629703 0.814852 0.793437 O\n0.185147 0.370295 0.793437 O\n0.814852 0.629703 0.206563 O\n0.666666 0.333332 0.480218 F\n0.333332 0.666666 0.519783 F\n",
"nsites": 14,
"nelements": 5,
"elements": [
"K",
"Na",
"P",
"O",
"F"
],
"chemical_system": "F-K-Na-O-P",
"density": 2.6491659586748963,
"density_atomic": 0.06642898022758723,
"volume": 210.75139121563623,
"volume_molar": 9.06553245190278,
"formula_full": "K3 Na1 P2 O6 F2",
"formula_reduced": "K3NaP2(O3F)2",
"formula_anonymous": "AB2C2D3E6",
"energy_above_hull": 1.2867718260714285,
"spacegroup": 164
},
{
"id": "jvasp-56714",
"created_at": "2022-09-04T14:37:54.054108Z",
"updated_at": "2022-09-04T14:37:54.054137Z",
"structure_string": "K1 Ni1 P3 O9\n1.0\n5.993689 0.001396 -1.843036\n-2.495301 5.449566 -1.843036\n0.000895 0.001396 6.270653\nK Ni P O\n1 1 3 9\ndirect\n0.495091 0.495091 0.495090 K\n0.003081 0.003081 0.003081 Ni\n0.027689 0.898782 0.479139 P\n0.898782 0.479140 0.027688 P\n0.479141 0.027689 0.898781 P\n0.368663 0.102064 0.073975 O\n0.073976 0.368663 0.102063 O\n0.269552 0.864066 0.623425 O\n0.895546 0.945237 0.639499 O\n0.945237 0.639501 0.895544 O\n0.864066 0.623427 0.269551 O\n0.639501 0.895546 0.945235 O\n0.102064 0.073976 0.368663 O\n0.623427 0.269552 0.864065 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Ni",
"P",
"O"
],
"chemical_system": "K-Ni-O-P",
"density": 2.7129019228984044,
"density_atomic": 0.06833567302170629,
"volume": 204.87103413107542,
"volume_molar": 8.812587179886432,
"formula_full": "K1 Ni1 P3 O9",
"formula_reduced": "KNi(PO3)3",
"formula_anonymous": "ABC3D9",
"energy_above_hull": 2.5653270285714287,
"spacegroup": 146
}
]
}