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=nelements&page=1194",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=1192",
"results": [
{
"id": "jvasp-105272",
"created_at": "2022-09-04T14:36:49.482823Z",
"updated_at": "2022-09-04T14:36:49.482845Z",
"structure_string": "Tl1 Tc1 O3\n1.0\n3.965106 -0.000000 0.000000\n0.000000 3.965106 0.000000\n-0.000000 -0.000000 3.965106\nTl Tc O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tc\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Tc",
"O"
],
"chemical_system": "O-Tc-Tl",
"density": 9.333098714684684,
"density_atomic": 0.08020576743667913,
"volume": 62.339656608203406,
"volume_molar": 7.5083637404933015,
"formula_full": "Tl1 Tc1 O3",
"formula_reduced": "TlTcO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.29660492,
"spacegroup": 221
},
{
"id": "jvasp-18635",
"created_at": "2022-09-04T14:36:49.484029Z",
"updated_at": "2022-09-04T14:36:49.484042Z",
"structure_string": "Ho1 Bi1 Pt1\n1.0\n4.113990 -0.000000 2.375213\n1.371330 3.878706 2.375213\n0.000000 -0.000000 4.750425\nHo Bi Pt\n1 1 1\ndirect\n0.500000 0.500001 0.500000 Ho\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ho",
"Bi",
"Pt"
],
"chemical_system": "Bi-Ho-Pt",
"density": 12.464497485536372,
"density_atomic": 0.0395766194736427,
"volume": 75.80233076748621,
"volume_molar": 15.21641019392936,
"formula_full": "Ho1 Bi1 Pt1",
"formula_reduced": "HoBiPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.107657088888889,
"spacegroup": 216
},
{
"id": "jvasp-101582",
"created_at": "2022-09-04T14:36:49.803649Z",
"updated_at": "2022-09-04T14:36:49.803674Z",
"structure_string": "Li1 Sm2 Al1\n1.0\n4.520469 -0.000000 2.609894\n1.506823 4.261939 2.609894\n-0.000000 -0.000000 5.219787\nLi Sm Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.749999 Sm\n0.500000 0.500000 0.500000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sm",
"Al"
],
"chemical_system": "Al-Li-Sm",
"density": 5.525692808263867,
"density_atomic": 0.03977557669577677,
"volume": 100.56422388527446,
"volume_molar": 15.140297791431923,
"formula_full": "Li1 Sm2 Al1",
"formula_reduced": "LiSm2Al",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3003826375,
"spacegroup": 225
},
{
"id": "jvasp-1903",
"created_at": "2022-09-04T14:36:49.399270Z",
"updated_at": "2022-09-04T14:36:49.399279Z",
"structure_string": "Er1 Ni1 Sb1\n1.0\n3.860826 -0.000000 2.229049\n1.286942 3.640022 2.229049\n0.000000 0.000000 4.458098\nEr Ni Sb\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Er\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Er",
"Ni",
"Sb"
],
"chemical_system": "Er-Ni-Sb",
"density": 9.215850632319242,
"density_atomic": 0.04788366743619797,
"volume": 62.65184269766544,
"volume_molar": 12.57660718662398,
"formula_full": "Er1 Ni1 Sb1",
"formula_reduced": "ErNiSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8783128333333332,
"spacegroup": 216
},
{
"id": "jvasp-8741",
"created_at": "2022-09-04T14:36:49.401820Z",
"updated_at": "2022-09-04T14:36:49.401851Z",
"structure_string": "Ce1 Mg2 Ag1\n1.0\n4.354185 0.000000 2.513891\n1.451395 4.105166 2.513891\n-0.000000 -0.000000 5.027780\nCe Mg Ag\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ce\n0.750000 0.750001 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Ag"
],
"chemical_system": "Ag-Ce-Mg",
"density": 5.480218630139414,
"density_atomic": 0.04450882451198161,
"volume": 89.86981893721355,
"volume_molar": 13.53021749289034,
"formula_full": "Ce1 Mg2 Ag1",
"formula_reduced": "CeMg2Ag",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0547427149999999,
"spacegroup": 225
},
{
"id": "jvasp-57155",
"created_at": "2022-09-04T14:36:49.502037Z",
"updated_at": "2022-09-04T14:36:49.502073Z",
"structure_string": "Ca3 C3 O9\n1.0\n5.014901 0.000000 0.000000\n-2.507450 4.339851 -0.172847\n0.000000 0.340961 8.566428\nCa C O\n3 3 9\ndirect\n0.682140 0.333337 0.334766 Ca\n0.015459 0.000000 0.000000 Ca\n0.348802 0.666662 0.665234 Ca\n0.348822 0.666694 0.170573 C\n0.682127 0.333305 0.829427 C\n0.015454 -0.000000 0.500000 C\n0.938488 0.329075 0.829516 O\n0.686343 0.593877 0.829554 O\n0.421544 0.076953 0.829536 O\n0.344591 0.923046 0.170464 O\n0.273853 0.258397 0.499991 O\n0.015455 0.741602 0.500008 O\n0.092466 0.406123 0.170446 O\n0.609413 0.670924 0.170484 O\n0.757041 -0.000000 0.500000 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ca",
"C",
"O"
],
"chemical_system": "C-Ca-O",
"density": 2.670070490724088,
"density_atomic": 0.08032789675681572,
"volume": 186.73462900953234,
"volume_molar": 7.496948137745221,
"formula_full": "Ca3 C3 O9",
"formula_reduced": "CaCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.251422184,
"spacegroup": 150
},
{
"id": "jvasp-79796",
"created_at": "2022-09-04T14:36:49.581688Z",
"updated_at": "2022-09-04T14:36:49.581716Z",
"structure_string": "Co1 Cu1 O2\n1.0\n2.781615 0.001655 5.211472\n1.305053 2.456466 5.211472\n0.002750 0.001655 5.907354\nCo Cu O\n1 1 2\ndirect\n0.499998 0.499998 0.500000 Co\n0.000000 0.000000 0.000000 Cu\n0.890770 0.890770 0.890774 O\n0.109229 0.109229 0.109229 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Co",
"Cu",
"O"
],
"chemical_system": "Co-Cu-O",
"density": 6.3645582470887545,
"density_atomic": 0.09924589104728546,
"volume": 40.30393558655451,
"volume_molar": 6.06789933210511,
"formula_full": "Co1 Cu1 O2",
"formula_reduced": "CoCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6582470875,
"spacegroup": 166
},
{
"id": "jvasp-51894",
"created_at": "2022-09-04T14:36:49.654146Z",
"updated_at": "2022-09-04T14:36:49.654154Z",
"structure_string": "Fe4 Bi4 O12\n1.0\n5.427612 0.000000 0.000000\n0.000000 5.609711 0.000000\n0.000000 0.000000 7.734015\nFe Bi O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.490323 0.445768 0.750000 Bi\n0.990322 0.054232 0.250000 Bi\n0.509677 0.554232 0.250000 Bi\n0.009677 0.945768 0.750000 Bi\n0.203965 0.204583 0.541317 O\n0.703965 0.295417 0.458682 O\n0.296034 0.704583 0.958682 O\n0.917171 0.519947 0.750000 O\n0.796034 0.795417 0.458682 O\n0.296034 0.704583 0.541317 O\n0.582828 0.019947 0.750000 O\n0.203965 0.204583 0.958682 O\n0.796034 0.795417 0.041318 O\n0.417171 0.980053 0.250000 O\n0.703965 0.295417 0.041318 O\n0.082829 0.480053 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Fe-O",
"density": 8.823772583703581,
"density_atomic": 0.08493285121655655,
"volume": 235.480143590202,
"volume_molar": 7.090472854426041,
"formula_full": "Fe4 Bi4 O12",
"formula_reduced": "FeBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.19179206,
"spacegroup": 62
},
{
"id": "jvasp-105428",
"created_at": "2022-09-04T14:36:49.669592Z",
"updated_at": "2022-09-04T14:36:49.669617Z",
"structure_string": "Nd2 Al3 Ga1\n1.0\n4.907074 0.007994 2.877622\n1.652225 4.620562 2.877622\n0.011329 0.007994 5.688582\nNd Al Ga\n2 3 1\ndirect\n0.124326 0.124325 0.124326 Nd\n0.875675 0.875672 0.875674 Nd\n0.500000 -0.000001 0.500000 Al\n0.000001 0.499999 0.500000 Al\n0.500000 0.499999 -0.000000 Al\n0.500001 0.499999 0.500000 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Al",
"Ga"
],
"chemical_system": "Al-Ga-Nd",
"density": 5.66702013708542,
"density_atomic": 0.046627531457316795,
"volume": 128.67934056282706,
"volume_molar": 12.915418362888705,
"formula_full": "Nd2 Al3 Ga1",
"formula_reduced": "Nd2Al3Ga",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.3689622875000005,
"spacegroup": 166
},
{
"id": "jvasp-100991",
"created_at": "2022-09-04T14:36:49.940457Z",
"updated_at": "2022-09-04T14:36:49.940477Z",
"structure_string": "La2 Cd1 In1\n1.0\n4.821542 -0.000000 2.783719\n1.607181 4.545794 2.783719\n-0.000000 -0.000000 5.567437\nLa Cd In\n2 1 1\ndirect\n0.750000 0.749999 0.750001 La\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.500001 Cd\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Cd",
"In"
],
"chemical_system": "Cd-In-La",
"density": 6.872643324730462,
"density_atomic": 0.0327800019215146,
"volume": 122.02561822837075,
"volume_molar": 18.37138623243176,
"formula_full": "La2 Cd1 In1",
"formula_reduced": "La2CdIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2182374300000001,
"spacegroup": 225
},
{
"id": "jvasp-101145",
"created_at": "2022-09-04T14:36:49.398687Z",
"updated_at": "2022-09-04T14:36:49.398730Z",
"structure_string": "Na3 Br1 Cl2\n1.0\n3.952828 0.001104 -8.132400\n-0.208397 3.947331 -8.132400\n-0.001047 -0.001104 9.042167\nNa Br Cl\n3 1 2\ndirect\n0.670973 0.670972 -0.000001 Na\n0.000000 0.000000 0.000000 Na\n0.329027 0.329027 -0.000000 Na\n0.500000 0.499999 -0.000001 Br\n0.832491 0.832490 -0.000001 Cl\n0.167509 0.167509 -0.000000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Na",
"density": 2.587998342508231,
"density_atomic": 0.042548019093671924,
"volume": 141.0171408166066,
"volume_molar": 14.153751192839103,
"formula_full": "Na3 Br1 Cl2",
"formula_reduced": "Na3BrCl2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-50589",
"created_at": "2022-09-04T14:36:49.411230Z",
"updated_at": "2022-09-04T14:36:49.411262Z",
"structure_string": "Mg6 As4 O16\n1.0\n0.000000 5.375051 0.008927\n8.381607 0.000000 0.000000\n0.000000 -4.592598 -7.817052\nMg As O\n6 4 16\ndirect\n0.499999 0.000000 0.500000 Mg\n0.499401 0.357949 0.397032 Mg\n0.500598 0.857949 0.102967 Mg\n0.500000 0.500000 -0.000000 Mg\n0.499401 0.142051 0.897032 Mg\n0.500598 0.642052 0.602967 Mg\n0.146724 0.696372 0.192961 As\n0.853276 0.196372 0.307038 As\n0.853275 0.303628 0.807038 As\n0.146723 0.803628 0.692961 As\n0.704786 0.063782 0.140252 O\n0.769081 0.352106 0.960914 O\n0.216722 0.199099 0.386993 O\n0.230917 0.852106 0.539085 O\n0.326986 0.622526 0.757602 O\n0.783278 0.699100 0.113007 O\n0.295213 0.936219 0.859747 O\n0.230918 0.647894 0.039085 O\n0.673013 0.377475 0.242397 O\n0.769082 0.147894 0.460914 O\n0.783277 0.800901 0.613007 O\n0.295213 0.563782 0.359747 O\n0.704785 0.436219 0.640252 O\n0.326986 0.877475 0.257602 O\n0.216721 0.300901 0.886992 O\n0.673013 0.122525 0.742397 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Mg",
"As",
"O"
],
"chemical_system": "As-Mg-O",
"density": 3.310945776230443,
"density_atomic": 0.07389999919060222,
"volume": 351.82679681688535,
"volume_molar": 8.149040359889245,
"formula_full": "Mg6 As4 O16",
"formula_reduced": "Mg3(AsO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.8525591269230768,
"spacegroup": 14
}
]
}