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=volume&page=827",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=825",
"results": [
{
"id": "jvasp-26272",
"created_at": "2022-09-04T14:38:35.442552Z",
"updated_at": "2022-09-04T14:38:35.442571Z",
"structure_string": "Ti1 Al3\n1.0\n3.569839 0.000000 -1.454408\n-0.592549 3.520317 -1.454408\n0.001309 0.001547 5.111492\nTi Al\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 -0.000000 Al\n0.250000 0.750001 0.500000 Al\n0.750000 0.250001 0.500000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Al"
],
"chemical_system": "Al-Ti",
"density": 3.3290277941110458,
"density_atomic": 0.06225486374814075,
"volume": 64.25200794242298,
"volume_molar": 9.673365898547729,
"formula_full": "Ti1 Al3",
"formula_reduced": "TiAl3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.120269183333334,
"spacegroup": 139
},
{
"id": "jvasp-54621",
"created_at": "2022-09-04T14:37:07.900364Z",
"updated_at": "2022-09-04T14:37:07.900395Z",
"structure_string": "Mn1 Te1 Pd1\n1.0\n3.893411 -0.000021 2.247837\n1.297789 3.670775 2.247828\n-0.000028 -0.000030 4.495723\nMn Te Pd\n1 1 1\ndirect\n0.500000 0.500010 0.500007 Mn\n0.250000 0.250001 0.249996 Te\n0.999997 0.999993 0.999997 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mn",
"Te",
"Pd"
],
"chemical_system": "Mn-Pd-Te",
"density": 7.467801291052139,
"density_atomic": 0.04669067153811252,
"volume": 64.25266335163265,
"volume_molar": 12.897952763614175,
"formula_full": "Mn1 Te1 Pd1",
"formula_reduced": "MnTePd",
"formula_anonymous": "ABC",
"energy_above_hull": 2.053813569348659,
"spacegroup": 216
},
{
"id": "jvasp-106529",
"created_at": "2022-09-04T14:36:57.446507Z",
"updated_at": "2022-09-04T14:36:57.446533Z",
"structure_string": "Hf2 Co1 Cu1\n1.0\n3.893508 -0.000000 2.247918\n1.297836 3.670834 2.247918\n-0.000000 -0.000000 4.495836\nHf Co Cu\n2 1 1\ndirect\n0.250001 0.250000 0.250000 Hf\n0.750002 0.749999 0.750001 Hf\n0.500001 0.499999 0.500001 Co\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Co",
"Cu"
],
"chemical_system": "Co-Cu-Hf",
"density": 12.39037560314771,
"density_atomic": 0.06225062466657777,
"volume": 64.25638331220782,
"volume_molar": 9.674024625865762,
"formula_full": "Hf2 Co1 Cu1",
"formula_reduced": "Hf2CoCu",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3798643375,
"spacegroup": 225
},
{
"id": "jvasp-128",
"created_at": "2022-09-04T14:37:55.605133Z",
"updated_at": "2022-09-04T14:37:55.605153Z",
"structure_string": "Pt1 Se2\n1.0\n1.890553 -3.274535 0.000000\n1.890553 3.274535 -0.000000\n-0.000000 -0.000000 5.189970\nPt Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Pt\n0.666666 0.333332 0.252185 Se\n0.333332 0.666666 0.747815 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pt",
"Se"
],
"chemical_system": "Pt-Se",
"density": 9.12211172764347,
"density_atomic": 0.046686134608644646,
"volume": 64.25890738541683,
"volume_molar": 12.899206178626125,
"formula_full": "Pt1 Se2",
"formula_reduced": "PtSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4727360444444444,
"spacegroup": 164
},
{
"id": "jvasp-14738",
"created_at": "2022-09-04T14:36:58.619248Z",
"updated_at": "2022-09-04T14:36:58.619270Z",
"structure_string": "Sc1 Pt3\n1.0\n4.005426 0.000000 -0.000000\n0.000000 4.005426 -0.000000\n0.000000 0.000000 4.005426\nSc Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500001 0.500001 0.000000 Pt\n0.500001 0.000000 0.500001 Pt\n0.000000 0.500001 0.500001 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"Pt"
],
"chemical_system": "Pt-Sc",
"density": 16.284964305170607,
"density_atomic": 0.06224634472770885,
"volume": 64.26080145746144,
"volume_molar": 9.674689793181148,
"formula_full": "Sc1 Pt3",
"formula_reduced": "ScPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.3441873625000005,
"spacegroup": 221
},
{
"id": "jvasp-41757",
"created_at": "2022-09-04T14:37:47.220867Z",
"updated_at": "2022-09-04T14:37:47.220893Z",
"structure_string": "Li1 Bi1 Rh2\n1.0\n0.000000 3.179184 3.179184\n3.179184 -0.000000 3.179184\n3.179184 3.179184 0.000000\nLi Bi Rh\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Li\n0.249999 0.249999 0.249999 Bi\n0.000000 0.000000 0.000000 Rh\n0.499999 0.499999 0.499999 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Bi",
"Rh"
],
"chemical_system": "Bi-Li-Rh",
"density": 10.89705334546662,
"density_atomic": 0.06224192320846774,
"volume": 64.2653663930458,
"volume_molar": 9.675377060297382,
"formula_full": "Li1 Bi1 Rh2",
"formula_reduced": "LiBiRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.778512575,
"spacegroup": 225
},
{
"id": "jvasp-18594",
"created_at": "2022-09-04T14:36:54.143570Z",
"updated_at": "2022-09-04T14:36:54.143583Z",
"structure_string": "Tb1 Ag2\n1.0\n3.503645 0.000000 -1.303827\n-0.485199 3.469887 -1.303827\n-0.020487 -0.023551 5.304360\nTb Ag\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.330640 0.330641 0.661281 Ag\n0.669360 0.669360 0.338718 Ag\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tb",
"Ag"
],
"chemical_system": "Ag-Tb",
"density": 9.679915139190717,
"density_atomic": 0.04667715201768522,
"volume": 64.27127342438006,
"volume_molar": 12.901688512868798,
"formula_full": "Tb1 Ag2",
"formula_reduced": "TbAg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1441909733333335,
"spacegroup": 139
},
{
"id": "jvasp-100760",
"created_at": "2022-09-04T14:36:40.481483Z",
"updated_at": "2022-09-04T14:36:40.481499Z",
"structure_string": "Ti3 Zn1\n1.0\n3.625680 0.019230 -3.447398\n-0.654430 3.566181 -3.447398\n-0.015936 -0.019230 5.002985\nTi Zn\n3 1\ndirect\n0.749999 0.250000 0.499999 Ti\n0.249999 0.750000 0.499999 Ti\n0.500000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn",
"density": 5.399998291666158,
"density_atomic": 0.06223539510532739,
"volume": 64.27210742745967,
"volume_molar": 9.67639194675009,
"formula_full": "Ti3 Zn1",
"formula_reduced": "Ti3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 2.536257222222223,
"spacegroup": 139
},
{
"id": "jvasp-15150",
"created_at": "2022-09-04T14:36:13.256031Z",
"updated_at": "2022-09-04T14:36:13.256061Z",
"structure_string": "Li2 Sb1 Pt1\n1.0\n3.893855 -0.000000 2.248119\n1.297952 3.671162 2.248119\n-0.000000 -0.000000 4.496236\nLi Sb Pt\n2 1 1\ndirect\n0.500000 0.500000 0.500001 Li\n0.750001 0.750000 0.750001 Li\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sb",
"Pt"
],
"chemical_system": "Li-Pt-Sb",
"density": 8.544467705797889,
"density_atomic": 0.0622339788965745,
"volume": 64.27357001626919,
"volume_molar": 9.676612144642215,
"formula_full": "Li2 Sb1 Pt1",
"formula_reduced": "Li2SbPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2332018750000002,
"spacegroup": 216
},
{
"id": "jvasp-15627",
"created_at": "2022-09-04T14:36:51.204604Z",
"updated_at": "2022-09-04T14:36:51.204631Z",
"structure_string": "Tm1 Co3 B2\n1.0\n2.478196 -4.292361 0.000000\n2.478196 4.292361 -0.000000\n0.000000 0.000000 3.021140\nTm Co B\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000001 0.500000 0.500000 Co\n0.500001 0.500001 0.500000 Co\n0.500000 0.000001 0.500000 Co\n0.333334 0.666668 0.000000 B\n0.666668 0.333334 0.000000 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tm",
"Co",
"B"
],
"chemical_system": "B-Co-Tm",
"density": 9.49080945128158,
"density_atomic": 0.09335090052689804,
"volume": 64.27361671000877,
"volume_molar": 6.451079449699348,
"formula_full": "Tm1 Co3 B2",
"formula_reduced": "TmCo3B2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.6357570194444446,
"spacegroup": 191
},
{
"id": "jvasp-39140",
"created_at": "2022-09-04T14:38:00.555062Z",
"updated_at": "2022-09-04T14:38:00.555083Z",
"structure_string": "K1 Pd1 O3\n1.0\n4.005427 0.000000 0.000000\n0.000000 4.005427 -0.000000\n0.000000 -0.000000 4.006322\nK Pd O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Pd",
"O"
],
"chemical_system": "K-O-Pd",
"density": 4.999465827082545,
"density_atomic": 0.07779049059358094,
"volume": 64.27520847146562,
"volume_molar": 7.741487055870208,
"formula_full": "K1 Pd1 O3",
"formula_reduced": "KPdO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5789808399999998,
"spacegroup": 221
},
{
"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
}
]
}