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=-spacegroup&page=169",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=167",
"results": [
{
"id": "jvasp-106306",
"created_at": "2022-09-04T14:38:17.852673Z",
"updated_at": "2022-09-04T14:38:17.852699Z",
"structure_string": "Ba2 Hf1 U1 O6\n1.0\n5.288215 0.000000 3.053152\n1.762738 4.985777 3.053153\n0.000000 -0.000000 6.106305\nBa Hf U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750000 0.749999 Ba\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 U\n0.757652 0.242349 0.242348 O\n0.242349 0.757652 0.757651 O\n0.242349 0.757652 0.242348 O\n0.757652 0.242349 0.757651 O\n0.242349 0.242349 0.757652 O\n0.757652 0.757652 0.242347 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Hf",
"U",
"O"
],
"chemical_system": "Ba-Hf-O-U",
"density": 8.118892754927264,
"density_atomic": 0.06211257779144436,
"volume": 160.99798713196284,
"volume_molar": 9.69552540585349,
"formula_full": "Ba2 Hf1 U1 O6",
"formula_reduced": "Ba2HfUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.700070194,
"spacegroup": 225
},
{
"id": "jvasp-107819",
"created_at": "2022-09-04T14:38:17.881453Z",
"updated_at": "2022-09-04T14:38:17.881478Z",
"structure_string": "K2 Ag1 Sb1 Cl6\n1.0\n6.478854 -0.000000 3.740568\n2.159618 6.108322 3.740568\n-0.000000 -0.000000 7.481136\nK Ag Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Ag\n0.000000 0.000000 0.000000 Sb\n0.750098 0.249901 0.249902 Cl\n0.249902 0.249901 0.750099 Cl\n0.249902 0.750098 0.750099 Cl\n0.249902 0.750098 0.249902 Cl\n0.750098 0.249901 0.750099 Cl\n0.750098 0.750098 0.249902 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ag",
"Sb",
"Cl"
],
"chemical_system": "Ag-Cl-K-Sb",
"density": 2.919563162395986,
"density_atomic": 0.03377632027133088,
"volume": 296.0654067603668,
"volume_molar": 17.829475536775842,
"formula_full": "K2 Ag1 Sb1 Cl6",
"formula_reduced": "K2AgSbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109971",
"created_at": "2022-09-04T14:38:17.886071Z",
"updated_at": "2022-09-04T14:38:17.886090Z",
"structure_string": "Ho1 Sc1 Zn2\n1.0\n4.207436 -0.000000 2.429164\n1.402479 3.966808 2.429164\n-0.000000 -0.000000 4.858328\nHo Sc Zn\n1 1 2\ndirect\n0.500001 0.500000 0.499999 Ho\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.249999 Zn\n0.750001 0.750000 0.749998 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Sc",
"Zn"
],
"chemical_system": "Ho-Sc-Zn",
"density": 6.977198755143816,
"density_atomic": 0.0493303799390355,
"volume": 81.08593537984835,
"volume_molar": 12.20777291284277,
"formula_full": "Ho1 Sc1 Zn2",
"formula_reduced": "HoScZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1131379041666664,
"spacegroup": 225
},
{
"id": "jvasp-110031",
"created_at": "2022-09-04T14:38:18.050713Z",
"updated_at": "2022-09-04T14:38:18.050736Z",
"structure_string": "Sc2 Os1 Rh1\n1.0\n3.936214 -0.000000 2.272574\n1.312071 3.711098 2.272574\n-0.000000 -0.000000 4.545148\nSc Os Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.749999 0.750000 0.749999 Sc\n0.499999 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Os",
"Rh"
],
"chemical_system": "Os-Rh-Sc",
"density": 9.580151478222156,
"density_atomic": 0.06024636342209597,
"volume": 66.39404891504138,
"volume_molar": 9.995857704817613,
"formula_full": "Sc2 Os1 Rh1",
"formula_reduced": "Sc2OsRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.312757125,
"spacegroup": 225
},
{
"id": "jvasp-17458",
"created_at": "2022-09-04T14:38:17.903801Z",
"updated_at": "2022-09-04T14:38:17.903821Z",
"structure_string": "Fe1 O1\n1.0\n2.628527 -0.000000 1.517581\n0.876176 2.478199 1.517581\n0.000000 -0.000000 3.035162\nFe O\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500001 0.499998 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 6.034086388725879,
"density_atomic": 0.10115782887313415,
"volume": 19.771084673122783,
"volume_molar": 5.9532127439712,
"formula_full": "Fe1 O1",
"formula_reduced": "FeO",
"formula_anonymous": "AB",
"energy_above_hull": 1.4427244999999995,
"spacegroup": 225
},
{
"id": "jvasp-55151",
"created_at": "2022-09-04T14:38:18.012927Z",
"updated_at": "2022-09-04T14:38:18.012956Z",
"structure_string": "Nb6 Co16 Ge7\n1.0\n6.975936 0.000000 4.027558\n2.325312 6.576974 4.027558\n-0.000000 -0.000000 8.055116\nNb Co Ge\n6 16 7\ndirect\n0.797886 0.797885 0.202115 Nb\n0.797886 0.202114 0.797886 Nb\n0.202115 0.202114 0.797886 Nb\n0.202115 0.797885 0.202115 Nb\n0.202115 0.797885 0.797886 Nb\n0.797886 0.202114 0.202115 Nb\n0.495007 0.834997 0.834999 Co\n0.142276 0.619241 0.619242 Co\n0.834998 0.834997 0.834999 Co\n0.380758 0.380758 0.380759 Co\n0.857725 0.380758 0.380759 Co\n0.619242 0.619241 0.619242 Co\n0.380758 0.857724 0.380759 Co\n0.165002 0.165002 0.165003 Co\n0.165002 0.504993 0.165003 Co\n0.834998 0.495007 0.834998 Co\n0.165002 0.165002 0.504993 Co\n0.834998 0.834997 0.495008 Co\n0.380758 0.380758 0.857725 Co\n0.504993 0.165002 0.165003 Co\n0.619242 0.142276 0.619242 Co\n0.619242 0.619241 0.142276 Co\n0.500000 0.500000 0.000000 Ge\n-0.000000 0.500000 0.500001 Ge\n0.500000 -0.000000 0.500000 Ge\n0.500000 0.500000 0.500001 Ge\n-0.000000 0.500000 0.000000 Ge\n0.500000 -0.000000 -0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Nb",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Nb",
"density": 9.026015304388359,
"density_atomic": 0.07846890393217283,
"volume": 369.5731499584485,
"volume_molar": 7.674557000573672,
"formula_full": "Nb6 Co16 Ge7",
"formula_reduced": "Nb6Co16Ge7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 4.029353877586207,
"spacegroup": 225
},
{
"id": "jvasp-37789",
"created_at": "2022-09-04T14:38:18.017413Z",
"updated_at": "2022-09-04T14:38:18.017451Z",
"structure_string": "Ho2 Mn1 Os1\n1.0\n0.000004 3.430075 3.430078\n3.430072 0.000006 3.430077\n3.430004 3.430004 0.000075\nHo Mn Os\n2 1 1\ndirect\n-0.000001 0.000000 1.000000 Ho\n0.500001 0.500000 0.499999 Ho\n0.250000 0.250000 0.250000 Mn\n0.750001 0.750000 0.749999 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Mn",
"Os"
],
"chemical_system": "Ho-Mn-Os",
"density": 11.830742647601875,
"density_atomic": 0.04956023892534321,
"volume": 80.70986110509958,
"volume_molar": 12.151153607373972,
"formula_full": "Ho2 Mn1 Os1",
"formula_reduced": "Ho2MnOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2274408436781608,
"spacegroup": 225
},
{
"id": "jvasp-42064",
"created_at": "2022-09-04T14:38:18.429698Z",
"updated_at": "2022-09-04T14:38:18.429725Z",
"structure_string": "Pa1 Sn1 Pd2\n1.0\n-0.000008 3.434342 3.434340\n3.434345 -0.000009 3.434341\n3.434343 3.434342 -0.000008\nPa Sn Pd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Pa\n0.749998 0.749999 0.749999 Sn\n0.000000 0.000000 0.000000 Pd\n0.499999 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pa",
"Sn",
"Pd"
],
"chemical_system": "Pa-Pd-Sn",
"density": 11.531230742523643,
"density_atomic": 0.049373933587892126,
"volume": 81.01440799484756,
"volume_molar": 12.197004213326034,
"formula_full": "Pa1 Sn1 Pd2",
"formula_reduced": "PaSnPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.97417405,
"spacegroup": 225
},
{
"id": "jvasp-109091",
"created_at": "2022-09-04T14:38:18.014773Z",
"updated_at": "2022-09-04T14:38:18.014792Z",
"structure_string": "Zn1 Ga1 Ni2\n1.0\n3.543290 -0.000000 2.045720\n1.181097 3.340646 2.045720\n-0.000000 -0.000000 4.091439\nZn Ga Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500001 0.500000 Ga\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750001 0.750000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Zn",
"density": 8.658239167466833,
"density_atomic": 0.08259366830231943,
"volume": 48.42986250905713,
"volume_molar": 7.291286225424721,
"formula_full": "Zn1 Ga1 Ni2",
"formula_reduced": "ZnGaNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110023",
"created_at": "2022-09-04T14:38:18.021033Z",
"updated_at": "2022-09-04T14:38:18.021058Z",
"structure_string": "Pm1 Ga1 Pd2\n1.0\n4.128684 -0.000000 2.383697\n1.376228 3.892561 2.383697\n-0.000000 0.000000 4.767394\nPm Ga Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750001 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Ga",
"Pd"
],
"chemical_system": "Ga-Pd-Pm",
"density": 9.26661449748599,
"density_atomic": 0.052207377057231115,
"volume": 76.61752467692628,
"volume_molar": 11.53503795718059,
"formula_full": "Pm1 Ga1 Pd2",
"formula_reduced": "PmGaPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.935278725,
"spacegroup": 225
},
{
"id": "jvasp-56576",
"created_at": "2022-09-04T14:38:18.035750Z",
"updated_at": "2022-09-04T14:38:18.035770Z",
"structure_string": "Ag2 Cl2\n1.0\n0.000000 3.923732 -0.197806\n3.928836 0.000000 0.000000\n0.000000 -0.275777 -5.547234\nAg Cl\n2 2\ndirect\n0.249696 0.250000 0.249906 Ag\n0.750303 0.750001 0.750094 Ag\n0.749739 0.750001 0.250057 Cl\n0.250260 0.250000 0.749943 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl",
"density": 5.552169596922139,
"density_atomic": 0.04665875927303474,
"volume": 85.72881195989494,
"volume_molar": 12.90677432025147,
"formula_full": "Ag2 Cl2",
"formula_reduced": "AgCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.000235,
"spacegroup": 225
},
{
"id": "jvasp-107931",
"created_at": "2022-09-04T14:38:18.048191Z",
"updated_at": "2022-09-04T14:38:18.048219Z",
"structure_string": "Ho2 Al1 Ru1\n1.0\n4.257434 -0.000000 2.458031\n1.419145 4.013947 2.458031\n-0.000000 -0.000000 4.916061\nHo Al Ru\n2 1 1\ndirect\n0.249999 0.250000 0.250000 Ho\n0.749998 0.750001 0.750000 Ho\n0.499999 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Al",
"Ru"
],
"chemical_system": "Al-Ho-Ru",
"density": 9.050956353471994,
"density_atomic": 0.047612739507130304,
"volume": 84.01112898368251,
"volume_molar": 12.648171103656297,
"formula_full": "Ho2 Al1 Ru1",
"formula_reduced": "Ho2AlRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1403161083333333,
"spacegroup": 225
}
]
}