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=-nsites&page=883",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=881",
"results": [
{
"id": "jvasp-61492",
"created_at": "2022-09-04T14:35:51.798487Z",
"updated_at": "2022-09-04T14:35:51.798506Z",
"structure_string": "Ca12 Au4\n1.0\n6.738890 -0.000000 0.000000\n0.000000 7.805322 0.000000\n0.000000 0.000000 9.700044\nCa Au\n12 4\ndirect\n0.862933 0.033388 0.750000 Ca\n0.362933 0.466612 0.250000 Ca\n0.137067 0.966612 0.250000 Ca\n0.637067 0.533388 0.750000 Ca\n0.338220 0.175494 0.937809 Ca\n0.838220 0.324506 0.062190 Ca\n0.661780 0.824506 0.437809 Ca\n0.161780 0.675494 0.562190 Ca\n0.661780 0.824506 0.062190 Ca\n0.161780 0.675494 0.937809 Ca\n0.338220 0.175494 0.562190 Ca\n0.838220 0.324506 0.437809 Ca\n0.047539 0.378441 0.750000 Au\n0.547539 0.121559 0.250000 Au\n0.952461 0.621559 0.250000 Au\n0.452461 0.878440 0.750000 Au\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ca",
"Au"
],
"chemical_system": "Au-Ca",
"density": 4.129430401008716,
"density_atomic": 0.03135935250115089,
"volume": 510.2146161791064,
"volume_molar": 19.2036514777497,
"formula_full": "Ca12 Au4",
"formula_reduced": "Ca3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-48434",
"created_at": "2022-09-04T14:36:01.610427Z",
"updated_at": "2022-09-04T14:36:01.610448Z",
"structure_string": "V4 O4 F8\n1.0\n0.000000 5.189698 0.050483\n4.895377 0.000000 0.000000\n0.000000 -0.420633 -7.390078\nV O F\n4 4 8\ndirect\n0.500001 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.294281 0.204717 0.543856 O\n0.705720 0.204717 0.956145 O\n0.294281 0.795283 0.043856 O\n0.705720 0.795283 0.456145 O\n0.000000 0.128042 0.250000 F\n0.191767 0.307335 0.925279 F\n0.808234 0.307335 0.574722 F\n0.500000 0.375481 0.250000 F\n0.500001 0.624520 0.750000 F\n0.191767 0.692666 0.425279 F\n0.808234 0.692666 0.074722 F\n0.000000 0.871958 0.750000 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.7145305204626546,
"density_atomic": 0.08526744647535983,
"volume": 187.64488279385264,
"volume_molar": 7.062649356739267,
"formula_full": "V4 O4 F8",
"formula_reduced": "VOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.92988706625,
"spacegroup": 13
},
{
"id": "jvasp-86806",
"created_at": "2022-09-04T14:36:01.585130Z",
"updated_at": "2022-09-04T14:36:01.585140Z",
"structure_string": "Tb10 Sb2 Au4\n1.0\n6.553414 -0.000000 -3.386786\n-1.750281 6.315358 -3.386786\n0.994106 1.307090 9.957395\nTb Sb Au\n10 2 4\ndirect\n0.996967 0.496967 0.667467 Tb\n0.003034 0.503034 0.332532 Tb\n0.503034 0.329499 0.332531 Tb\n0.829498 0.003034 0.332531 Tb\n0.496967 0.670502 0.667468 Tb\n0.670502 0.170502 0.667468 Tb\n0.170502 0.996967 0.667468 Tb\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 -0.000000 Tb\n0.329499 0.829499 0.332531 Tb\n0.750000 0.750000 0.499999 Sb\n0.250000 0.250000 0.500000 Sb\n0.127847 0.627847 -0.000000 Au\n0.372153 0.127847 -0.000000 Au\n0.627847 0.872153 -0.000001 Au\n0.872153 0.372153 -0.000001 Au\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tb",
"Sb",
"Au"
],
"chemical_system": "Au-Sb-Tb",
"density": 9.256321420642381,
"density_atomic": 0.03403313712608482,
"volume": 470.13003652069267,
"volume_molar": 17.6949328464472,
"formula_full": "Tb10 Sb2 Au4",
"formula_reduced": "Tb5SbAu2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.3458979050000002,
"spacegroup": 140
},
{
"id": "jvasp-85782",
"created_at": "2022-09-04T14:35:54.061392Z",
"updated_at": "2022-09-04T14:35:54.061419Z",
"structure_string": "Ba4 S4 O8\n1.0\n7.312703 0.000000 0.000000\n0.000000 5.421109 0.000000\n0.000000 0.000000 6.845863\nBa S O\n4 4 8\ndirect\n0.635308 0.250000 0.329532 Ba\n0.135309 0.250000 0.170468 Ba\n0.364691 0.750000 0.670468 Ba\n0.864691 0.750000 0.829532 Ba\n0.881681 0.750000 0.322283 S\n0.381681 0.750000 0.177716 S\n0.118318 0.250000 0.677716 S\n0.618318 0.250000 0.822283 S\n0.700790 0.750000 0.462319 O\n0.200790 0.750000 0.037681 O\n0.299209 0.250000 0.537681 O\n0.799209 0.250000 0.962318 O\n0.554439 0.750000 0.039730 O\n0.054439 0.750000 0.460269 O\n0.445561 0.250000 0.960269 O\n0.945561 0.250000 0.539730 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"S",
"O"
],
"chemical_system": "Ba-O-S",
"density": 4.928950280547183,
"density_atomic": 0.0589556869504553,
"volume": 271.3902734005279,
"volume_molar": 10.214690170705392,
"formula_full": "Ba4 S4 O8",
"formula_reduced": "BaSO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1230882425000002,
"spacegroup": 62
},
{
"id": "jvasp-86121",
"created_at": "2022-09-04T14:36:01.421542Z",
"updated_at": "2022-09-04T14:36:01.421577Z",
"structure_string": "Li4 B4 H8\n1.0\n3.064748 0.000000 0.000000\n-0.000000 5.349471 0.000000\n0.000000 0.000000 8.334706\nLi B H\n4 4 8\ndirect\n0.750001 0.838558 0.771730 Li\n0.750001 0.661442 0.271730 Li\n0.250000 0.338558 0.728270 Li\n0.250000 0.161442 0.228270 Li\n0.250000 0.417489 0.454707 B\n0.250000 0.082511 0.954707 B\n0.750001 0.917488 0.045293 B\n0.750001 0.582511 0.545293 B\n0.750001 0.432897 0.414203 H\n0.750001 0.704127 0.990350 H\n0.250000 0.295873 0.009651 H\n0.250000 0.204127 0.509651 H\n0.250000 0.567103 0.585797 H\n0.750001 0.795873 0.490349 H\n0.250000 0.932897 0.085797 H\n0.750001 0.067103 0.914204 H\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"B",
"H"
],
"chemical_system": "B-H-Li",
"density": 0.9608891554178235,
"density_atomic": 0.11709115495811141,
"volume": 136.64567580466598,
"volume_molar": 5.143121837131406,
"formula_full": "Li4 B4 H8",
"formula_reduced": "LiBH2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.619360645833334,
"spacegroup": 62
},
{
"id": "jvasp-98268",
"created_at": "2022-09-04T14:36:01.353049Z",
"updated_at": "2022-09-04T14:36:01.353075Z",
"structure_string": "Sc6 Rh2 C8\n1.0\n5.105895 -0.011405 2.333267\n1.404256 5.397149 0.641710\n-0.003706 -0.005703 6.761367\nSc Rh C\n6 2 8\ndirect\n0.759561 0.759865 -0.000000 Sc\n0.188251 0.000000 0.623497 Sc\n0.689477 0.500000 0.621047 Sc\n0.240441 0.240134 -0.000000 Sc\n0.310524 0.500000 0.378954 Sc\n0.811749 -0.000001 0.376504 Sc\n0.269705 0.730148 -0.000000 Rh\n0.730297 0.269851 -0.000000 Rh\n0.949001 0.582067 0.258183 C\n0.711252 0.078054 0.740796 C\n0.792818 0.417932 0.258183 C\n0.051000 0.417933 0.741818 C\n0.288749 0.921946 0.259204 C\n0.547954 0.921946 0.740796 C\n0.452047 0.078054 0.259205 C\n0.207183 0.582068 0.741818 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sc",
"Rh",
"C"
],
"chemical_system": "C-Rh-Sc",
"density": 5.090187673096082,
"density_atomic": 0.0858001590163955,
"volume": 186.4798408700218,
"volume_molar": 7.018799066385451,
"formula_full": "Sc6 Rh2 C8",
"formula_reduced": "Sc3RhC4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 4.99569484375,
"spacegroup": 12
},
{
"id": "jvasp-85467",
"created_at": "2022-09-04T14:35:52.190362Z",
"updated_at": "2022-09-04T14:35:52.190388Z",
"structure_string": "Fe8 S8\n1.0\n6.596916 0.000000 -0.000000\n-3.298458 5.713097 0.000000\n-0.000000 0.000000 5.194518\nFe S\n8 8\ndirect\n0.523350 0.476650 0.014595 Fe\n0.953301 0.476650 0.014595 Fe\n0.000000 0.000000 0.449639 Fe\n0.476650 0.523350 0.514596 Fe\n0.523350 0.046700 0.014595 Fe\n0.000000 0.000000 0.949639 Fe\n0.046700 0.523350 0.514596 Fe\n0.476650 0.953301 0.514596 Fe\n0.167068 0.334136 0.230188 S\n0.167068 0.832932 0.230188 S\n0.832932 0.665864 0.730188 S\n0.665864 0.832932 0.230188 S\n0.666667 0.333333 0.291012 S\n0.334136 0.167068 0.730188 S\n0.832933 0.167068 0.730188 S\n0.333333 0.666667 0.791012 S\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Fe",
"S"
],
"chemical_system": "Fe-S",
"density": 5.965125113114504,
"density_atomic": 0.08172636354135054,
"volume": 195.7752591292599,
"volume_molar": 7.368663548761737,
"formula_full": "Fe8 S8",
"formula_reduced": "FeS",
"formula_anonymous": "AB",
"energy_above_hull": 1.5865477499999996,
"spacegroup": 186
},
{
"id": "jvasp-85783",
"created_at": "2022-09-04T14:36:01.194238Z",
"updated_at": "2022-09-04T14:36:01.194257Z",
"structure_string": "P4 H12\n1.0\n9.777597 -1.744899 -1.161149\n-3.959534 2.991694 2.856788\n-0.129528 0.783056 10.508227\nP H\n4 12\ndirect\n0.887954 0.757870 0.355587 P\n0.005799 0.337395 0.790908 P\n0.332314 0.110762 0.753142 P\n0.535647 0.651432 0.967331 P\n0.716042 0.207560 0.187633 H\n0.655506 0.258656 0.564916 H\n0.144216 -0.019823 0.818003 H\n0.009772 0.156587 0.544498 H\n0.555448 0.877000 0.238553 H\n0.663429 0.406239 0.333763 H\n0.092605 0.695614 0.600867 H\n0.915258 0.091144 0.301990 H\n0.240293 0.742231 0.944185 H\n0.626637 0.050470 0.939403 H\n0.467005 0.347041 0.153740 H\n0.152077 0.329826 0.505484 H\n",
"nsites": 16,
"nelements": 2,
"elements": [
"P",
"H"
],
"chemical_system": "H-P",
"density": 1.0420529776492529,
"density_atomic": 0.07383336512519714,
"volume": 216.7041956284839,
"volume_molar": 8.156394808483167,
"formula_full": "P4 H12",
"formula_reduced": "PH3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.671246375,
"spacegroup": 1
},
{
"id": "jvasp-85525",
"created_at": "2022-09-04T14:36:01.058579Z",
"updated_at": "2022-09-04T14:36:01.058603Z",
"structure_string": "Ge8 Te8\n1.0\n4.072399 0.000000 0.000000\n0.000000 13.388502 0.000000\n0.000000 0.000000 10.785060\nGe Te\n8 8\ndirect\n0.500141 0.743177 0.894222 Ge\n0.499860 0.256823 0.105778 Ge\n0.000141 0.743177 0.105778 Ge\n0.000141 0.756823 0.605778 Ge\n-0.000141 0.256823 0.894222 Ge\n0.499860 0.243177 0.605778 Ge\n0.500141 0.756823 0.394222 Ge\n-0.000141 0.243177 0.394222 Ge\n0.499881 0.375277 0.327429 Te\n0.000120 0.624722 0.327429 Te\n0.500120 0.875277 0.172571 Te\n-0.000120 0.124723 0.172571 Te\n0.500120 0.624722 0.672571 Te\n-0.000120 0.375277 0.672571 Te\n0.000120 0.875277 0.827429 Te\n0.499881 0.124723 0.827429 Te\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ge",
"Te"
],
"chemical_system": "Ge-Te",
"density": 4.523608855594996,
"density_atomic": 0.027209158291040515,
"volume": 588.0373008550033,
"volume_molar": 22.13277123674561,
"formula_full": "Ge8 Te8",
"formula_reduced": "GeTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.5989818583333335,
"spacegroup": 72
},
{
"id": "jvasp-60910",
"created_at": "2022-09-04T14:35:52.375447Z",
"updated_at": "2022-09-04T14:35:52.375475Z",
"structure_string": "K6 Ge8 Au2\n1.0\n6.168349 0.000000 0.000000\n0.000000 6.630808 0.000000\n0.000000 0.000000 11.845416\nK Ge Au\n6 8 2\ndirect\n0.830264 0.000000 0.736570 K\n0.830264 0.000000 0.263430 K\n0.169736 0.500000 0.236570 K\n0.169736 0.500000 0.763430 K\n0.424173 0.000000 0.500000 K\n0.575827 0.500000 0.000000 K\n0.944723 0.289861 0.500000 Ge\n0.944723 0.710140 0.500000 Ge\n0.055277 0.210140 0.000000 Ge\n0.055277 0.789861 0.000000 Ge\n0.324293 0.000000 0.119135 Ge\n0.324293 0.000000 0.880865 Ge\n0.675707 0.500000 0.619135 Ge\n0.675707 0.500000 0.380865 Ge\n0.686365 0.000000 0.000000 Au\n0.313635 0.500000 0.500000 Au\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Ge",
"Au"
],
"chemical_system": "Au-Ge-K",
"density": 4.145916814068738,
"density_atomic": 0.03302434972552319,
"volume": 484.49099325138997,
"volume_molar": 18.2354559894505,
"formula_full": "K6 Ge8 Au2",
"formula_reduced": "K3Ge4Au",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0845506712499999,
"spacegroup": 59
},
{
"id": "jvasp-86078",
"created_at": "2022-09-04T14:35:52.387067Z",
"updated_at": "2022-09-04T14:35:52.387093Z",
"structure_string": "Nd4 Mg4 Si8\n1.0\n4.245824 -0.000000 -0.486190\n-0.055674 4.245459 -0.486190\n-0.012073 -0.012233 18.676716\nNd Mg Si\n4 4 8\ndirect\n0.702548 0.952548 0.905093 Nd\n0.547454 0.797454 0.594907 Nd\n0.452547 0.202547 0.405093 Nd\n0.297453 0.047453 0.094907 Nd\n0.624978 0.374978 0.749955 Mg\n0.874977 0.124978 0.249955 Mg\n0.375023 0.625023 0.250045 Mg\n0.125024 0.875023 0.750045 Mg\n0.077450 0.327450 0.654899 Si\n0.764288 0.514288 0.028576 Si\n0.172551 0.422551 0.845101 Si\n0.922551 0.672551 0.345101 Si\n0.985712 0.735713 0.471424 Si\n0.827449 0.577450 0.154899 Si\n0.014289 0.264289 0.528576 Si\n0.235713 0.485713 0.971424 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Si"
],
"chemical_system": "Mg-Nd-Si",
"density": 4.434298771696912,
"density_atomic": 0.047533301977202055,
"volume": 336.60611265074596,
"volume_molar": 12.669308694120055,
"formula_full": "Nd4 Mg4 Si8",
"formula_reduced": "NdMgSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6309944374999996,
"spacegroup": 141
},
{
"id": "jvasp-48281",
"created_at": "2022-09-04T14:36:01.003487Z",
"updated_at": "2022-09-04T14:36:01.003508Z",
"structure_string": "Li4 Cr2 Si2 O8\n1.0\n0.000000 4.847260 -0.001012\n6.539081 0.000000 0.000000\n0.000000 -0.001169 -5.215879\nLi Cr Si O\n4 2 2 8\ndirect\n0.993316 0.247711 0.671663 Li\n0.493318 0.252288 0.328334 Li\n0.493318 0.747711 0.328334 Li\n0.993316 0.752288 0.671663 Li\n0.007757 0.000000 0.204800 Cr\n0.507754 0.500000 0.795199 Cr\n0.480162 0.000000 0.835185 Si\n0.980164 0.500000 0.164812 Si\n0.575207 0.000000 0.142596 O\n0.139680 0.000000 0.822304 O\n0.591277 0.209238 0.691055 O\n0.091280 0.290762 0.308945 O\n0.639681 0.500000 0.177695 O\n0.075204 0.500000 0.857403 O\n0.091280 0.709238 0.308945 O\n0.591277 0.790761 0.691055 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 3.1731379774525035,
"density_atomic": 0.09677861934563362,
"volume": 165.32577245039894,
"volume_molar": 6.222594205950204,
"formula_full": "Li4 Cr2 Si2 O8",
"formula_reduced": "Li2CrSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.4684925,
"spacegroup": 31
}
]
}