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=-id&page=497",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=495",
"results": [
{
"id": "jvasp-87120",
"created_at": "2022-09-04T14:35:57.645443Z",
"updated_at": "2022-09-04T14:35:57.645462Z",
"structure_string": "Ta2 Fe2 Te6\n1.0\n3.603695 0.000000 0.000000\n0.000000 7.143247 -2.546085\n0.000000 -0.112461 10.135439\nTa Fe Te\n2 2 6\ndirect\n0.250000 0.324916 0.295718 Ta\n0.750001 0.675085 0.704282 Ta\n0.750001 0.108852 0.087891 Fe\n0.250000 0.891149 0.912109 Fe\n0.750001 0.286403 0.503818 Te\n0.250000 0.713597 0.496182 Te\n0.750001 0.066687 0.820592 Te\n0.250000 0.933314 0.179408 Te\n0.250000 0.528779 0.844622 Te\n0.750001 0.471221 0.155378 Te\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"Te"
],
"chemical_system": "Fe-Ta-Te",
"density": 7.918086717860418,
"density_atomic": 0.038479971543023836,
"volume": 259.87545206001937,
"volume_molar": 15.650065523740684,
"formula_full": "Ta2 Fe2 Te6",
"formula_reduced": "TaFeTe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.6981196,
"spacegroup": 11
},
{
"id": "jvasp-8712",
"created_at": "2022-09-04T14:36:52.387156Z",
"updated_at": "2022-09-04T14:36:52.387183Z",
"structure_string": "Lu1 Ni1 Bi1\n1.0\n3.915038 -0.000000 2.260348\n1.305013 3.691133 2.260348\n0.000000 -0.000000 4.520696\nLu Ni Bi\n1 1 1\ndirect\n0.500000 0.500000 0.500001 Lu\n0.250000 0.250000 0.250001 Ni\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Lu",
"Ni",
"Bi"
],
"chemical_system": "Bi-Lu-Ni",
"density": 11.251218541168583,
"density_atomic": 0.04592194515272037,
"volume": 65.32824317487089,
"volume_molar": 13.113862533419395,
"formula_full": "Lu1 Ni1 Bi1",
"formula_reduced": "LuNiBi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7437941499999999,
"spacegroup": 216
},
{
"id": "jvasp-87119",
"created_at": "2022-09-04T14:35:53.583628Z",
"updated_at": "2022-09-04T14:35:53.583655Z",
"structure_string": "Sr4 Si4 Pd4\n1.0\n6.552286 0.000000 -0.000000\n0.000000 6.552286 0.000000\n-0.000000 0.000000 6.552286\nSr Si Pd\n4 4 4\ndirect\n0.628878 0.371122 0.871123 Sr\n0.371122 0.871123 0.628878 Sr\n0.128878 0.128878 0.128878 Sr\n0.871123 0.628878 0.371122 Sr\n0.164510 0.335491 0.664510 Si\n0.664510 0.164510 0.335491 Si\n0.335491 0.664510 0.164510 Si\n0.835491 0.835491 0.835491 Si\n0.588355 0.911646 0.088355 Pd\n0.088355 0.588355 0.911646 Pd\n0.411646 0.411646 0.411646 Pd\n0.911646 0.088355 0.588355 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Si",
"Pd"
],
"chemical_system": "Pd-Si-Sr",
"density": 5.244800463651866,
"density_atomic": 0.04265821798191546,
"volume": 281.3057030438375,
"volume_molar": 14.117187836006252,
"formula_full": "Sr4 Si4 Pd4",
"formula_reduced": "SrSiPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.991760203333333,
"spacegroup": 198
},
{
"id": "jvasp-87118",
"created_at": "2022-09-04T14:35:50.580047Z",
"updated_at": "2022-09-04T14:35:50.580076Z",
"structure_string": "Ca4 Si4 Pd4\n1.0\n5.745144 0.000000 0.000000\n0.000000 5.548858 -1.964072\n0.000000 0.044252 7.426838\nCa Si Pd\n4 4 4\ndirect\n0.127715 0.321323 0.116096 Ca\n0.372285 0.821323 0.616096 Ca\n0.872284 0.678677 0.883904 Ca\n0.627715 0.178677 0.383904 Ca\n0.620365 0.170821 0.957301 Si\n0.379634 0.829179 0.042700 Si\n0.120365 0.329179 0.542700 Si\n0.879634 0.670821 0.457301 Si\n0.611057 0.577798 0.191194 Pd\n0.388942 0.422202 0.808807 Pd\n0.888942 0.077797 0.691194 Pd\n0.111057 0.922203 0.308807 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Pd"
],
"chemical_system": "Ca-Pd-Si",
"density": 4.887523163435075,
"density_atomic": 0.05057755022921074,
"volume": 237.2594154050086,
"volume_molar": 11.906746635035617,
"formula_full": "Ca4 Si4 Pd4",
"formula_reduced": "CaSiPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0227082399999998,
"spacegroup": 14
},
{
"id": "jvasp-87117",
"created_at": "2022-09-04T14:35:45.774291Z",
"updated_at": "2022-09-04T14:35:45.774314Z",
"structure_string": "Ba3 Er2 Cu2 Pt1 O10\n1.0\n5.837798 0.000000 0.000000\n-2.918899 6.030660 -1.706184\n0.000000 -0.025033 7.434704\nBa Er Cu Pt O\n3 2 2 1 10\ndirect\n0.153402 0.306804 0.542842 Ba\n0.846598 0.693196 0.457159 Ba\n0.000000 0.000000 0.000000 Ba\n0.689156 0.378311 0.874460 Er\n0.310844 0.621690 0.125540 Er\n0.411035 0.822069 0.802362 Cu\n0.588965 0.177931 0.197639 Cu\n0.500000 0.000000 0.500000 Pt\n0.299164 0.038793 0.720451 O\n0.667654 0.335307 0.553065 O\n0.700837 0.961207 0.279549 O\n0.086539 0.630515 0.874657 O\n0.456024 0.369485 0.125344 O\n0.913461 0.369485 0.125344 O\n0.543976 0.630515 0.874657 O\n0.332347 0.664694 0.446935 O\n0.739631 0.038793 0.720451 O\n0.260370 0.961207 0.279549 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Ba",
"Er",
"Cu",
"Pt",
"O"
],
"chemical_system": "Ba-Cu-Er-O-Pt",
"density": 7.802258122050895,
"density_atomic": 0.06883492137552603,
"volume": 261.49517774272965,
"volume_molar": 8.748670935710763,
"formula_full": "Ba3 Er2 Cu2 Pt1 O10",
"formula_reduced": "Ba3Er2Cu2PtO10",
"formula_anonymous": "AB2C2D3E10",
"energy_above_hull": 1.814658622777778,
"spacegroup": 12
},
{
"id": "jvasp-87116",
"created_at": "2022-09-04T14:36:20.297537Z",
"updated_at": "2022-09-04T14:36:20.297560Z",
"structure_string": "Ca2 Al2 F10\n1.0\n5.097780 0.005467 1.853332\n1.122473 4.972670 1.853332\n0.002884 0.002308 7.379521\nCa Al F\n2 2 10\ndirect\n0.455607 0.544393 0.250000 Ca\n0.544391 0.455608 0.750000 Ca\n-0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.798625 0.755854 0.614881 F\n0.244146 0.201375 0.885119 F\n0.201373 0.244147 0.385120 F\n0.755853 0.798627 0.114881 F\n0.939111 0.060889 0.750000 F\n0.060887 0.939112 0.250000 F\n0.729876 0.298454 0.027060 F\n0.701546 0.270125 0.472940 F\n0.270123 0.701547 0.972940 F\n0.298453 0.729876 0.527060 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Al",
"F"
],
"chemical_system": "Al-Ca-F",
"density": 2.8783240739803517,
"density_atomic": 0.07487475786719504,
"volume": 186.9789018193785,
"volume_molar": 8.042951899332268,
"formula_full": "Ca2 Al2 F10",
"formula_reduced": "CaAlF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-87115",
"created_at": "2022-09-04T14:36:10.251329Z",
"updated_at": "2022-09-04T14:36:10.251356Z",
"structure_string": "Pr2 Fe17\n1.0\n6.287299 0.030509 0.788304\n0.699403 6.248352 0.788304\n0.033948 0.030509 6.336435\nPr Fe\n2 17\ndirect\n0.344903 0.344903 0.344903 Pr\n0.655097 0.655097 0.655095 Pr\n0.849037 0.334440 0.334439 Fe\n0.150963 0.665560 0.665559 Fe\n0.665559 0.665560 0.150963 Fe\n0.665560 0.150964 0.665559 Fe\n0.285321 1.000000 0.714677 Fe\n-0.000000 0.714679 0.285321 Fe\n0.714679 0.285321 -0.000001 Fe\n0.334441 0.334440 0.849035 Fe\n0.285321 0.714679 0.999999 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.909004 0.909004 0.909002 Fe\n0.090996 0.090996 0.090996 Fe\n0.334440 0.849036 0.334439 Fe\n1.000000 0.285321 0.714677 Fe\n0.714679 0.000000 0.285320 Fe\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Pr",
"Fe"
],
"chemical_system": "Fe-Pr",
"density": 8.227303140779242,
"density_atomic": 0.07646106541142754,
"volume": 248.49248304039907,
"volume_molar": 7.876087950901032,
"formula_full": "Pr2 Fe17",
"formula_reduced": "Pr2Fe17",
"formula_anonymous": "A2B17",
"energy_above_hull": 4.102594378947368,
"spacegroup": 166
},
{
"id": "jvasp-87110",
"created_at": "2022-09-04T14:36:05.303875Z",
"updated_at": "2022-09-04T14:36:05.303887Z",
"structure_string": "Rb6 C2 O6 F2\n1.0\n6.535194 -0.078208 3.081263\n1.921888 6.246698 3.081263\n-0.107224 -0.078208 7.224365\nRb C O F\n6 2 6 2\ndirect\n0.250000 0.820612 0.679388 Rb\n0.820612 0.679388 0.250000 Rb\n0.679388 0.250000 0.820612 Rb\n0.750000 0.179388 0.320612 Rb\n0.179388 0.320612 0.750000 Rb\n0.320612 0.750000 0.179388 Rb\n0.750000 0.750000 0.750000 C\n0.250000 0.250000 0.250000 C\n0.250000 0.417026 0.082973 O\n0.417026 0.082973 0.250000 O\n0.082974 0.250000 0.417026 O\n0.750000 0.582973 0.917027 O\n0.917026 0.750000 0.582974 O\n0.582974 0.917026 0.750000 O\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"C",
"O",
"F"
],
"chemical_system": "C-F-O-Rb",
"density": 3.7228841813228217,
"density_atomic": 0.05347410173129188,
"volume": 299.2102622013218,
"volume_molar": 11.261789473830422,
"formula_full": "Rb6 C2 O6 F2",
"formula_reduced": "Rb3CO3F",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.2360775978125,
"spacegroup": 167
},
{
"id": "jvasp-8711",
"created_at": "2022-09-04T14:37:06.509890Z",
"updated_at": "2022-09-04T14:37:06.509909Z",
"structure_string": "Dy1 Ni1 Bi1\n1.0\n3.964467 0.000000 2.288886\n1.321489 3.737735 2.288886\n0.000000 0.000000 4.577772\nDy Ni Bi\n1 1 1\ndirect\n0.500000 0.500001 0.500000 Dy\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Dy",
"Ni",
"Bi"
],
"chemical_system": "Bi-Dy-Ni",
"density": 10.530417267906664,
"density_atomic": 0.04422560490953912,
"volume": 67.83400715798741,
"volume_molar": 13.616864647341592,
"formula_full": "Dy1 Ni1 Bi1",
"formula_reduced": "DyNiBi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7517210666666666,
"spacegroup": 216
},
{
"id": "jvasp-87109",
"created_at": "2022-09-04T14:36:00.636815Z",
"updated_at": "2022-09-04T14:36:00.636840Z",
"structure_string": "K6 C2 O6 F2\n1.0\n6.227805 -0.050600 2.882511\n1.821798 5.955601 2.882511\n-0.068978 -0.050600 6.862192\nK C O F\n6 2 6 2\ndirect\n0.250000 0.818692 0.681308 K\n0.818692 0.681308 0.249999 K\n0.681309 0.250000 0.818691 K\n0.750000 0.181308 0.318691 K\n0.181308 0.318692 0.750000 K\n0.318692 0.750000 0.181308 K\n0.750000 0.750000 0.749999 C\n0.250000 0.250000 0.250000 C\n0.250000 0.425372 0.074628 O\n0.425372 0.074628 0.250000 O\n0.074628 0.250000 0.425371 O\n0.750000 0.574628 0.925371 O\n0.925372 0.750000 0.574628 O\n0.574629 0.925372 0.749999 O\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"C",
"O",
"F"
],
"chemical_system": "C-F-K-O",
"density": 2.536807272742111,
"density_atomic": 0.06225915036586451,
"volume": 256.99033645618925,
"volume_molar": 9.672699875618319,
"formula_full": "K6 C2 O6 F2",
"formula_reduced": "K3CO3F",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.2346780978125005,
"spacegroup": 167
},
{
"id": "jvasp-87107",
"created_at": "2022-09-04T14:38:17.812085Z",
"updated_at": "2022-09-04T14:38:17.812103Z",
"structure_string": "Rb4 Co2 S4\n1.0\n5.572685 0.000000 -2.336900\n-1.259617 6.129590 -3.003745\n0.075452 0.002114 7.992827\nRb Co S\n4 2 4\ndirect\n0.647946 0.809586 0.295893 Rb\n0.352054 0.190413 0.704108 Rb\n0.852054 0.513693 0.704108 Rb\n0.147946 0.486306 0.295893 Rb\n0.250000 -0.000000 0.000000 Co\n0.750001 -0.000000 0.000000 Co\n0.403588 0.727984 0.807178 S\n0.596412 0.272015 0.192823 S\n0.096411 0.920807 0.192823 S\n0.903588 0.079192 0.807178 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Co",
"S"
],
"chemical_system": "Co-Rb-S",
"density": 3.5616116792504093,
"density_atomic": 0.03647723602458658,
"volume": 274.1435780183495,
"volume_molar": 16.50931215276543,
"formula_full": "Rb4 Co2 S4",
"formula_reduced": "Rb2CoS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9344081799999998,
"spacegroup": 72
},
{
"id": "jvasp-87105",
"created_at": "2022-09-04T14:38:16.866160Z",
"updated_at": "2022-09-04T14:38:16.866183Z",
"structure_string": "K4 Na4 Te4\n1.0\n5.120044 -0.000000 0.000000\n-0.000000 8.520719 0.000000\n0.000000 0.000000 9.231350\nK Na Te\n4 4 4\ndirect\n0.749999 0.487898 0.688102 K\n0.250000 0.012102 0.188102 K\n0.749999 0.987898 0.811898 K\n0.250000 0.512102 0.311898 K\n0.250000 0.647498 0.925585 Na\n0.250000 0.147498 0.574415 Na\n0.749999 0.352502 0.074415 Na\n0.749999 0.852502 0.425585 Na\n0.250000 0.776194 0.605493 Te\n0.250000 0.276194 0.894507 Te\n0.749999 0.723806 0.105493 Te\n0.749999 0.223806 0.394507 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Na",
"Te"
],
"chemical_system": "K-Na-Te",
"density": 3.1284840944427095,
"density_atomic": 0.029796557569768567,
"volume": 402.73108636465906,
"volume_molar": 20.21086075429745,
"formula_full": "K4 Na4 Te4",
"formula_reduced": "KNaTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
}
]
}