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=-density_atomic&page=1190",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=1188",
"results": [
{
"id": "jvasp-74754",
"created_at": "2022-09-04T14:35:49.277301Z",
"updated_at": "2022-09-04T14:35:49.277326Z",
"structure_string": "Ta1 Be2 Pd1\n1.0\n-1.878544 1.878544 3.676361\n1.878544 -1.878544 3.676361\n1.878544 1.878544 -3.676361\nTa Be Pd\n1 2 1\ndirect\n0.749999 0.250000 0.499999 Ta\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Pd"
],
"chemical_system": "Be-Pd-Ta",
"density": 9.772062039381654,
"density_atomic": 0.07707953858441256,
"volume": 51.89444661269549,
"volume_molar": 7.812891554098936,
"formula_full": "Ta1 Be2 Pd1",
"formula_reduced": "TaBe2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.008324275,
"spacegroup": 119
},
{
"id": "jvasp-78817",
"created_at": "2022-09-04T14:37:10.807506Z",
"updated_at": "2022-09-04T14:37:10.807532Z",
"structure_string": "Pu1 O2\n1.0\n-2.689794 -2.689794 0.000000\n-2.689794 0.000000 -2.689794\n-0.000000 -2.689794 -2.689794\nPu O\n1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.250000 0.250000 0.250000 O\n0.749999 0.749999 0.749999 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pu",
"O"
],
"chemical_system": "O-Pu",
"density": 11.775225537211927,
"density_atomic": 0.0770786673967523,
"volume": 38.92127486529956,
"volume_molar": 7.812979859916134,
"formula_full": "Pu1 O2",
"formula_reduced": "PuO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.628575666666667,
"spacegroup": 225
},
{
"id": "jvasp-78966",
"created_at": "2022-09-04T14:37:12.444877Z",
"updated_at": "2022-09-04T14:37:12.444903Z",
"structure_string": "Pu1 O2\n1.0\n-2.689794 -2.689794 0.000000\n-2.689794 0.000000 -2.689794\n-0.000000 -2.689794 -2.689794\nPu O\n1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.250000 0.250000 0.250000 O\n0.749999 0.749999 0.749999 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pu",
"O"
],
"chemical_system": "O-Pu",
"density": 11.775225537211927,
"density_atomic": 0.0770786673967523,
"volume": 38.92127486529956,
"volume_molar": 7.812979859916134,
"formula_full": "Pu1 O2",
"formula_reduced": "PuO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.628575666666667,
"spacegroup": 225
},
{
"id": "jvasp-117503",
"created_at": "2022-09-04T14:38:45.674885Z",
"updated_at": "2022-09-04T14:38:45.674911Z",
"structure_string": "B1 Os1 O4\n1.0\n-2.692654 2.692654 2.684171\n2.692654 -2.692654 2.684171\n2.692654 2.692654 -2.684171\nB Os O\n1 1 4\ndirect\n0.250000 0.749998 0.499999 B\n0.000000 0.000000 0.000000 Os\n0.600713 0.025666 0.800792 O\n0.200079 0.399285 0.424952 O\n0.224873 0.799918 0.199205 O\n-0.025667 0.775124 0.575045 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"B",
"Os",
"O"
],
"chemical_system": "B-O-Os",
"density": 5.653624402096086,
"density_atomic": 0.07707614354745164,
"volume": 77.84509867578056,
"volume_molar": 7.813235695027336,
"formula_full": "B1 Os1 O4",
"formula_reduced": "BOsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.493071930555556,
"spacegroup": 82
},
{
"id": "jvasp-90125",
"created_at": "2022-09-04T14:35:49.783785Z",
"updated_at": "2022-09-04T14:35:49.783815Z",
"structure_string": "V3 Fe3 As3\n1.0\n0.000000 0.000000 -3.691084\n-3.022034 -5.234316 0.000000\n-3.021863 5.234217 0.000000\nV Fe As\n3 3 3\ndirect\n0.499999 0.581445 -0.000001 V\n0.499999 0.418586 0.418619 V\n0.499999 0.999965 0.581379 V\n0.000000 0.246636 -0.000000 Fe\n0.000000 0.753331 0.753358 Fe\n0.000000 0.999973 0.246640 Fe\n0.000000 0.333303 0.666669 As\n0.000000 0.666635 0.333330 As\n0.499999 0.000021 -0.000000 As\n",
"nsites": 9,
"nelements": 3,
"elements": [
"V",
"Fe",
"As"
],
"chemical_system": "As-Fe-V",
"density": 7.752072496945818,
"density_atomic": 0.07707538371894054,
"volume": 116.76879913850283,
"volume_molar": 7.813312719869232,
"formula_full": "V3 Fe3 As3",
"formula_reduced": "VFeAs",
"formula_anonymous": "ABC",
"energy_above_hull": 2.894360483333333,
"spacegroup": 189
},
{
"id": "jvasp-10961",
"created_at": "2022-09-04T14:37:15.619842Z",
"updated_at": "2022-09-04T14:37:15.619865Z",
"structure_string": "Li2 Au2 F8\n1.0\n4.871164 0.000000 -0.015510\n0.000000 6.387060 -0.000000\n2.175317 3.193531 4.997241\nLi Au F\n2 2 8\ndirect\n0.750020 0.661420 0.499989 Li\n0.250021 0.338591 0.499989 Li\n-0.000003 0.499980 0.000001 Au\n0.499996 0.000018 0.000001 Au\n0.826559 0.720536 0.751098 F\n0.326559 0.028367 0.751098 F\n0.823295 0.290256 0.717819 F\n0.323293 0.491925 0.717819 F\n0.176708 0.709766 0.282174 F\n0.676709 0.508060 0.282174 F\n0.173423 0.279435 0.248917 F\n0.673424 0.971650 0.248916 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Au",
"F"
],
"chemical_system": "Au-F-Li",
"density": 5.970603852280823,
"density_atomic": 0.07707538053644386,
"volume": 155.6917386132916,
"volume_molar": 7.813313042486411,
"formula_full": "Li2 Au2 F8",
"formula_reduced": "LiAuF4",
"formula_anonymous": "ABC4",
"energy_above_hull": null,
"spacegroup": 15
},
{
"id": "jvasp-85849",
"created_at": "2022-09-04T14:35:46.429406Z",
"updated_at": "2022-09-04T14:35:46.429429Z",
"structure_string": "Nd2 Fe17\n1.0\n6.270945 0.033573 0.787573\n0.698996 6.231956 0.787573\n0.037348 0.033573 6.320097\nNd Fe\n2 17\ndirect\n0.655248 0.655247 0.655246 Nd\n0.344754 0.344753 0.344753 Nd\n0.334888 0.334887 0.848439 Fe\n0.334888 0.848439 0.334887 Fe\n0.848440 0.334887 0.334887 Fe\n0.151562 0.665113 0.665112 Fe\n0.665114 0.665113 0.151561 Fe\n0.665114 0.151561 0.665112 Fe\n0.287093 -0.000000 0.712908 Fe\n0.090973 0.090973 0.090973 Fe\n0.712908 -0.000000 0.287092 Fe\n0.000000 0.287092 0.712908 Fe\n0.287093 0.712908 -0.000001 Fe\n0.000000 0.500000 -0.000000 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n0.909029 0.909027 0.909026 Fe\n0.712908 0.287092 -0.000001 Fe\n0.000001 0.712908 0.287092 Fe\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Nd",
"Fe"
],
"chemical_system": "Fe-Nd",
"density": 8.338288078651336,
"density_atomic": 0.07707503467418117,
"volume": 246.51302565504622,
"volume_molar": 7.813348103516734,
"formula_full": "Nd2 Fe17",
"formula_reduced": "Nd2Fe17",
"formula_anonymous": "A2B17",
"energy_above_hull": 4.094622447368421,
"spacegroup": 166
},
{
"id": "jvasp-41045",
"created_at": "2022-09-04T14:37:35.913380Z",
"updated_at": "2022-09-04T14:37:35.913393Z",
"structure_string": "Zn2 Ni1 Rh1\n1.0\n-0.000000 2.960568 2.960568\n2.960568 0.000000 2.960568\n2.960568 2.960568 -0.000000\nZn Ni Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.499999 0.499999 0.499999 Zn\n0.250000 0.250000 0.250000 Ni\n0.750002 0.750002 0.750002 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Ni",
"Rh"
],
"chemical_system": "Ni-Rh-Zn",
"density": 9.356134330408864,
"density_atomic": 0.07707346316394408,
"volume": 51.89853726296874,
"volume_molar": 7.8135074158925715,
"formula_full": "Zn2 Ni1 Rh1",
"formula_reduced": "Zn2NiRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1100615499999999,
"spacegroup": 225
},
{
"id": "jvasp-38808",
"created_at": "2022-09-04T14:38:02.852626Z",
"updated_at": "2022-09-04T14:38:02.852647Z",
"structure_string": "Nb1 Ga1 Fe2\n1.0\n0.000000 2.960572 2.960572\n2.960572 0.000000 2.960572\n2.960572 2.960572 -0.000000\nNb Ga Fe\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Nb\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Fe\n0.500001 0.500001 0.500001 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga-Nb",
"density": 8.777052782275947,
"density_atomic": 0.07707315076474947,
"volume": 51.89874762236214,
"volume_molar": 7.813539086239503,
"formula_full": "Nb1 Ga1 Fe2",
"formula_reduced": "NbGaFe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9059831812499994,
"spacegroup": 225
},
{
"id": "jvasp-10068",
"created_at": "2022-09-04T14:37:27.346587Z",
"updated_at": "2022-09-04T14:37:27.346625Z",
"structure_string": "Mo4 O8\n1.0\n6.136939 -0.033691 -0.345061\n3.039292 5.331592 -0.345061\n2.777003 1.603304 4.534826\nMo O\n4 8\ndirect\n0.982205 0.982205 0.017795 Mo\n0.267795 0.267795 0.232205 Mo\n0.625000 0.625000 0.125000 Mo\n0.625000 0.624999 0.625001 Mo\n0.403828 0.403828 0.331671 O\n0.384905 0.893864 0.360616 O\n0.403828 0.403827 0.860675 O\n0.893864 0.384905 0.360616 O\n0.356135 0.865093 0.889385 O\n0.865094 0.356135 0.889385 O\n0.846171 0.846171 0.389326 O\n0.846171 0.846171 0.918330 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 5.457961506914106,
"density_atomic": 0.07707266083937904,
"volume": 155.69723257651944,
"volume_molar": 7.813588754318812,
"formula_full": "Mo4 O8",
"formula_reduced": "MoO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.597207633333333,
"spacegroup": 74
},
{
"id": "jvasp-71840",
"created_at": "2022-09-04T14:35:53.160948Z",
"updated_at": "2022-09-04T14:35:53.160984Z",
"structure_string": "Be2 Ga2 Re1\n1.0\n-1.581134 1.581134 6.487435\n1.581134 -1.581134 6.487435\n1.581134 1.581134 -6.487435\nBe Ga Re\n2 2 1\ndirect\n0.749999 0.250000 0.499999 Be\n0.250000 0.749999 0.499999 Be\n0.608588 0.608588 0.000000 Ga\n0.391413 0.391413 0.000000 Ga\n0.000000 0.000000 0.000000 Re\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Be",
"Ga",
"Re"
],
"chemical_system": "Be-Ga-Re",
"density": 8.796900099117455,
"density_atomic": 0.07707253403347608,
"volume": 64.87395364252944,
"volume_molar": 7.81360160986054,
"formula_full": "Be2 Ga2 Re1",
"formula_reduced": "Be2Ga2Re",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.1605589699999994,
"spacegroup": 139
},
{
"id": "jvasp-19082",
"created_at": "2022-09-04T14:36:55.097109Z",
"updated_at": "2022-09-04T14:36:55.097124Z",
"structure_string": "Ba3 Ti6 O15\n1.0\n3.916574 0.000000 0.000000\n-1.958287 8.302396 -1.917749\n0.000000 -0.003330 9.577577\nBa Ti O\n3 6 15\ndirect\n0.369246 0.738493 0.016678 Ba\n0.500000 -0.000000 0.500000 Ba\n0.630753 0.261507 0.983322 Ba\n0.038579 0.077158 0.209715 Ti\n0.961420 0.922843 0.790286 Ti\n0.205902 0.411805 0.373319 Ti\n0.794096 0.588195 0.626681 Ti\n0.832975 0.665953 0.304059 Ti\n0.167023 0.334048 0.695941 Ti\n0.847431 0.694865 0.814041 O\n0.152568 0.305135 0.185959 O\n0.892369 0.784741 0.574241 O\n0.000000 0.000000 0.000000 O\n0.534737 0.069475 0.208800 O\n0.675135 0.350272 0.661196 O\n0.324863 0.649728 0.338804 O\n0.734984 0.469970 0.399462 O\n0.265015 0.530031 0.600539 O\n0.788322 0.576647 0.121837 O\n0.211676 0.423354 0.878163 O\n0.941723 0.883449 0.287751 O\n0.058276 0.116552 0.712249 O\n0.465262 0.930526 0.791200 O\n0.107629 0.215260 0.425759 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti",
"density": 5.008003294010976,
"density_atomic": 0.07706917126794405,
"volume": 311.4085646069805,
"volume_molar": 7.813942541386629,
"formula_full": "Ba3 Ti6 O15",
"formula_reduced": "BaTi2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.417871267083333,
"spacegroup": 12
}
]
}