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=formula_anonymous&page=687",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=685",
"results": [
{
"id": "jvasp-97970",
"created_at": "2022-09-04T14:35:58.171425Z",
"updated_at": "2022-09-04T14:35:58.171449Z",
"structure_string": "Pu2 Te4\n1.0\n4.451110 -0.000000 -0.000000\n0.000000 4.451110 0.000000\n-0.000000 -0.000000 8.964869\nPu Te\n2 4\ndirect\n0.750000 0.750000 0.724305 Pu\n0.250000 0.250000 0.275696 Pu\n0.750000 0.750000 0.364808 Te\n0.250000 0.250000 0.635192 Te\n0.750000 0.250000 0.000000 Te\n0.250000 0.750000 0.000000 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pu",
"Te"
],
"chemical_system": "Pu-Te",
"density": 9.334113292437493,
"density_atomic": 0.03378085585112444,
"volume": 177.61539335896612,
"volume_molar": 17.827081665841053,
"formula_full": "Pu2 Te4",
"formula_reduced": "PuTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.561881844444444,
"spacegroup": 129
},
{
"id": "jvasp-1981",
"created_at": "2022-09-04T14:35:56.881578Z",
"updated_at": "2022-09-04T14:35:56.881603Z",
"structure_string": "Zr1 Cl2\n1.0\n3.288168 -0.007359 5.900925\n1.527420 2.911888 5.900925\n-0.012201 -0.007359 6.755207\nZr Cl\n1 2\ndirect\n0.000068 0.000068 0.000068 Zr\n0.422067 0.422067 0.422066 Cl\n0.244766 0.244766 0.244765 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zr",
"Cl"
],
"chemical_system": "Cl-Zr",
"density": 4.139210067561723,
"density_atomic": 0.0461239234022328,
"volume": 65.04216854749988,
"volume_molar": 13.056436477622968,
"formula_full": "Zr1 Cl2",
"formula_reduced": "ZrCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7469875450000003,
"spacegroup": 160
},
{
"id": "jvasp-14564",
"created_at": "2022-09-04T14:35:56.920333Z",
"updated_at": "2022-09-04T14:35:56.920348Z",
"structure_string": "Er1 Au2\n1.0\n3.461054 0.000000 -1.314437\n-0.499197 3.424865 -1.314437\n-0.005419 -0.006265 5.199614\nEr Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.664208 0.664208 0.328418 Au\n0.335789 0.335789 0.671578 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Er",
"Au"
],
"chemical_system": "Au-Er",
"density": 15.133508220513283,
"density_atomic": 0.0487192053613781,
"volume": 61.57735902602045,
"volume_molar": 12.360917456125057,
"formula_full": "Er1 Au2",
"formula_reduced": "ErAu2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3412117133333333,
"spacegroup": 139
},
{
"id": "jvasp-86874",
"created_at": "2022-09-04T14:35:47.151371Z",
"updated_at": "2022-09-04T14:35:47.151411Z",
"structure_string": "Nb8 C4\n1.0\n3.119526 -0.000000 0.000000\n0.000000 4.992759 -0.000000\n-0.000000 -0.000000 11.034529\nNb C\n8 4\ndirect\n0.000000 0.734362 0.296580 Nb\n0.500001 0.265639 0.703420 Nb\n0.500001 0.751961 0.545448 Nb\n0.000000 0.765639 0.796580 Nb\n0.500001 0.748039 0.045448 Nb\n0.000000 0.248039 0.454552 Nb\n0.000000 0.251961 0.954552 Nb\n0.500001 0.234361 0.203420 Nb\n0.500001 0.990891 0.375361 C\n0.000000 0.009109 0.624639 C\n0.500001 0.509109 0.875361 C\n0.000000 0.490891 0.124639 C\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Nb",
"C"
],
"chemical_system": "C-Nb",
"density": 7.645464376816205,
"density_atomic": 0.06982295628940675,
"volume": 171.86324724294994,
"volume_molar": 8.624872219731053,
"formula_full": "Nb8 C4",
"formula_reduced": "Nb2C",
"formula_anonymous": "AB2",
"energy_above_hull": 4.873142933333334,
"spacegroup": 62
},
{
"id": "jvasp-85829",
"created_at": "2022-09-04T14:35:58.986628Z",
"updated_at": "2022-09-04T14:35:58.986642Z",
"structure_string": "Ba2 N4\n1.0\n4.130678 -0.009709 0.928725\n1.753183 3.740179 0.928725\n0.000645 0.000408 7.297257\nBa N\n2 4\ndirect\n0.796479 0.203522 0.249999 Ba\n0.203522 0.796479 0.750000 Ba\n0.150446 0.442804 0.454636 N\n0.557196 0.849554 0.045363 N\n0.442805 0.150447 0.954636 N\n0.849554 0.557196 0.545363 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"N"
],
"chemical_system": "Ba-N",
"density": 4.865400445818168,
"density_atomic": 0.053163279540770304,
"volume": 112.85985461823644,
"volume_molar": 11.327632177735932,
"formula_full": "Ba2 N4",
"formula_reduced": "BaN2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.7525508233333333,
"spacegroup": 15
},
{
"id": "jvasp-94299",
"created_at": "2022-09-04T14:35:56.340830Z",
"updated_at": "2022-09-04T14:35:56.340856Z",
"structure_string": "Tb2 Si4\n1.0\n-0.000000 -3.967298 0.000000\n-3.967218 0.000000 0.000000\n1.983610 1.983649 -7.483174\nTb Si\n2 4\ndirect\n0.625014 0.375014 0.750027 Tb\n0.374986 0.624986 0.249972 Tb\n0.043614 0.793615 0.587228 Si\n0.956386 0.206385 0.412771 Si\n0.206387 0.956388 0.912774 Si\n0.793613 0.043612 0.087225 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tb",
"Si"
],
"chemical_system": "Si-Tb",
"density": 6.06520383982404,
"density_atomic": 0.05094300011246397,
"volume": 117.77869357427204,
"volume_molar": 11.821331187219561,
"formula_full": "Tb2 Si4",
"formula_reduced": "TbSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.109378533333333,
"spacegroup": 141
},
{
"id": "jvasp-589",
"created_at": "2022-09-04T14:35:56.379367Z",
"updated_at": "2022-09-04T14:35:56.379394Z",
"structure_string": "Ta1 Se2\n1.0\n1.753552 -3.037240 0.000000\n1.753552 3.037240 0.000000\n-0.000000 -0.000000 6.334270\nTa Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.666666 0.333332 0.739293 Se\n0.333332 0.666666 0.260707 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ta",
"Se"
],
"chemical_system": "Se-Ta",
"density": 8.339791175761157,
"density_atomic": 0.04446281222061742,
"volume": 67.47211546391794,
"volume_molar": 13.544219223289552,
"formula_full": "Ta1 Se2",
"formula_reduced": "TaSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.541538644444444,
"spacegroup": 164
},
{
"id": "jvasp-85840",
"created_at": "2022-09-04T14:35:56.420750Z",
"updated_at": "2022-09-04T14:35:56.420776Z",
"structure_string": "Cu2 F4\n1.0\n3.165321 0.000000 -0.184156\n0.000000 4.653705 0.000000\n0.267573 0.000000 4.643474\nCu F\n2 4\ndirect\n0.499999 0.500001 0.499999 Cu\n0.000000 0.000000 0.000000 Cu\n0.500070 0.802336 0.198428 F\n-0.000070 0.302336 0.301571 F\n0.000069 0.697665 0.698428 F\n0.499929 0.197665 0.801570 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cu",
"F"
],
"chemical_system": "Cu-F",
"density": 4.913773070044388,
"density_atomic": 0.08742549319790362,
"volume": 68.62986733649761,
"volume_molar": 6.888312024008582,
"formula_full": "Cu2 F4",
"formula_reduced": "CuF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0004299999999999,
"spacegroup": 136
},
{
"id": "jvasp-43624",
"created_at": "2022-09-04T14:35:49.082059Z",
"updated_at": "2022-09-04T14:35:49.082075Z",
"structure_string": "Rb16 O8\n1.0\n6.688122 0.000000 0.000000\n-0.000000 6.945517 0.000000\n0.000000 0.000000 13.358731\nRb O\n16 8\ndirect\n-0.000918 0.261563 0.023274 Rb\n0.000918 0.738438 0.976726 Rb\n0.500917 0.761563 0.976726 Rb\n0.173329 0.102523 0.801839 Rb\n0.673329 0.397477 0.801839 Rb\n0.673329 0.897477 0.698161 Rb\n0.000918 0.238438 0.523274 Rb\n0.500917 0.261563 0.523274 Rb\n0.173329 0.602524 0.698161 Rb\n-0.000918 0.761563 0.476726 Rb\n0.826671 0.397477 0.301839 Rb\n0.326671 0.102523 0.301839 Rb\n0.326671 0.602524 0.198161 Rb\n0.826671 0.897477 0.198161 Rb\n0.499082 0.238438 0.023274 Rb\n0.499082 0.738438 0.476726 Rb\n0.268546 0.465812 0.885406 O\n0.231453 0.965812 0.114594 O\n0.731453 0.534188 0.114594 O\n0.731453 0.034188 0.385406 O\n0.231453 0.465812 0.385406 O\n0.268546 0.965812 0.614594 O\n0.768546 0.534188 0.614594 O\n0.768546 0.034188 0.885406 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Rb",
"O"
],
"chemical_system": "O-Rb",
"density": 4.001803289097525,
"density_atomic": 0.038675618866083686,
"volume": 620.5459848774814,
"volume_molar": 15.570896954104269,
"formula_full": "Rb16 O8",
"formula_reduced": "Rb2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0128433333333333,
"spacegroup": 61
},
{
"id": "jvasp-86848",
"created_at": "2022-09-04T14:35:53.915142Z",
"updated_at": "2022-09-04T14:35:53.915167Z",
"structure_string": "Al4 Au8\n1.0\n3.317495 0.000000 0.000000\n0.000000 6.882530 0.000000\n0.000000 0.000000 8.955110\nAl Au\n4 8\ndirect\n0.749999 0.359413 0.724253 Al\n0.250000 0.640587 0.275747 Al\n0.250000 0.140587 0.224253 Al\n0.749999 0.859413 0.775747 Al\n0.749999 0.849805 0.070915 Au\n0.749999 0.421753 0.119735 Au\n0.250000 0.578247 0.880265 Au\n0.250000 0.078247 0.619735 Au\n0.749999 0.349805 0.429085 Au\n0.250000 0.650195 0.570916 Au\n0.749999 0.921753 0.380265 Au\n0.250000 0.150195 0.929085 Au\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Al",
"Au"
],
"chemical_system": "Al-Au",
"density": 13.673315754870895,
"density_atomic": 0.05868835424700468,
"volume": 204.4698672158191,
"volume_molar": 10.2612193462681,
"formula_full": "Al4 Au8",
"formula_reduced": "AlAu2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6410893133333333,
"spacegroup": 62
},
{
"id": "jvasp-94344",
"created_at": "2022-09-04T14:36:02.652643Z",
"updated_at": "2022-09-04T14:36:02.652675Z",
"structure_string": "Mo2 O4\n1.0\n-1.414961 -2.450822 -0.000000\n-1.414961 2.450822 0.000000\n0.000000 -0.000000 -9.985254\nMo O\n2 4\ndirect\n0.666657 0.333342 0.750000 Mo\n0.333342 0.666657 0.250000 Mo\n0.666672 0.333327 0.127481 O\n0.333327 0.666672 0.872519 O\n0.333327 0.666672 0.627481 O\n0.666672 0.333327 0.372519 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 6.1353029716780645,
"density_atomic": 0.0866374972567976,
"volume": 69.2540780837161,
"volume_molar": 6.950963440402822,
"formula_full": "Mo2 O4",
"formula_reduced": "MoO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.512717633333333,
"spacegroup": 194
},
{
"id": "jvasp-19844",
"created_at": "2022-09-04T14:36:00.227697Z",
"updated_at": "2022-09-04T14:36:00.227729Z",
"structure_string": "Sc2 Al4\n1.0\n4.649008 -0.000000 2.684105\n1.549669 4.383126 2.684105\n-0.000000 -0.000000 5.368211\nSc Al\n2 4\ndirect\n0.875000 0.875001 0.875001 Sc\n0.125000 0.125000 0.125000 Sc\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.000001 Al\n-0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sc",
"Al"
],
"chemical_system": "Al-Sc",
"density": 3.003204710988971,
"density_atomic": 0.05485010002585249,
"volume": 109.38904390642898,
"volume_molar": 10.979270333438928,
"formula_full": "Sc2 Al4",
"formula_reduced": "ScAl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6021069500000005,
"spacegroup": 227
}
]
}