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=-energy_above_hull&page=941",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=939",
"results": [
{
"id": "jvasp-20813",
"created_at": "2022-09-04T14:37:45.019762Z",
"updated_at": "2022-09-04T14:37:45.019770Z",
"structure_string": "Mn4 Al11\n1.0\n5.048968 -0.000142 -0.001957\n-0.916518 4.972802 -0.000774\n-0.015946 -2.362397 8.449165\nMn Al\n4 11\ndirect\n0.283804 0.150971 0.599901 Mn\n0.716195 0.849028 0.400100 Mn\n0.665919 0.611925 0.866929 Mn\n0.334080 0.388075 0.133072 Mn\n0.000000 0.000000 0.000000 Al\n0.949759 0.815834 0.673165 Al\n0.050240 0.184166 0.326836 Al\n0.797194 0.264822 0.632980 Al\n0.844110 0.531747 0.127193 Al\n0.155889 0.468253 0.872807 Al\n0.494881 0.890082 0.124243 Al\n0.505118 0.109918 0.875758 Al\n0.565249 0.327054 0.373530 Al\n0.434750 0.672946 0.626470 Al\n0.202805 0.735178 0.367021 Al\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Mn",
"Al"
],
"chemical_system": "Al-Mn",
"density": 4.043647394807736,
"density_atomic": 0.07071374314726131,
"volume": 212.12283966869796,
"volume_molar": 8.51622399263874,
"formula_full": "Mn4 Al11",
"formula_reduced": "Mn4Al11",
"formula_anonymous": "A4B11",
"energy_above_hull": 2.923601317701149,
"spacegroup": 2
},
{
"id": "jvasp-20104",
"created_at": "2022-09-04T14:36:36.983499Z",
"updated_at": "2022-09-04T14:36:36.983525Z",
"structure_string": "Th1 C1\n1.0\n3.285698 0.000000 1.896999\n1.095233 3.097786 1.896999\n0.000000 0.000000 3.793997\nTh C\n1 1\ndirect\n0.500000 0.500001 0.500000 Th\n0.000000 0.000000 0.000000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Th",
"C"
],
"chemical_system": "C-Th",
"density": 10.494207896409767,
"density_atomic": 0.051790959428536204,
"volume": 38.61677833483084,
"volume_molar": 11.627783741503487,
"formula_full": "Th1 C1",
"formula_reduced": "ThC",
"formula_anonymous": "AB",
"energy_above_hull": 2.9235378,
"spacegroup": 225
},
{
"id": "jvasp-28454",
"created_at": "2022-09-04T14:36:40.478363Z",
"updated_at": "2022-09-04T14:36:40.478389Z",
"structure_string": "Te6 W3\n1.0\n3.569808 0.000000 0.000000\n-1.784904 3.091402 0.000000\n0.000000 0.000000 22.118822\nTe W\n6 3\ndirect\n0.333110 0.666220 0.429169 Te\n0.666789 0.333576 -0.058321 Te\n0.666749 0.333495 0.587920 Te\n0.666749 0.333495 0.106045 Te\n0.666789 0.333576 0.752285 Te\n0.333110 0.666220 0.264796 Te\n0.333432 0.666860 0.023846 W\n0.333432 0.666860 0.670119 W\n0.666447 0.332894 0.346982 W\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Te",
"W"
],
"chemical_system": "Te-W",
"density": 8.960084516125539,
"density_atomic": 0.03687059734619957,
"volume": 244.09694032059596,
"volume_molar": 16.333179263288315,
"formula_full": "Te6 W3",
"formula_reduced": "Te2W",
"formula_anonymous": "AB2",
"energy_above_hull": 2.923478511111112,
"spacegroup": 187
},
{
"id": "jvasp-33318",
"created_at": "2022-09-04T14:37:08.465482Z",
"updated_at": "2022-09-04T14:37:08.465508Z",
"structure_string": "H8 N2 Cl2 O4\n1.0\n6.346930 0.000000 0.000000\n0.000000 6.346930 0.000000\n0.000000 0.000000 3.699167\nH N Cl O\n8 2 2 4\ndirect\n0.370432 0.459678 0.336984 H\n0.129568 0.959678 0.663016 H\n0.629568 0.540322 0.336984 H\n0.870432 0.040322 0.663016 H\n0.540322 0.370432 0.663016 H\n0.959678 0.870432 0.336984 H\n0.459678 0.629568 0.663016 H\n0.040322 0.129568 0.336984 H\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.862348 Cl\n0.500000 0.000000 0.137652 Cl\n0.647028 0.147028 0.898206 O\n0.852972 0.647028 0.101795 O\n0.352972 0.852972 0.898206 O\n0.147028 0.352972 0.101795 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-H-N-O",
"density": 1.9053044239735428,
"density_atomic": 0.10737140287826535,
"volume": 149.01546939961608,
"volume_molar": 5.6087008258872535,
"formula_full": "H8 N2 Cl2 O4",
"formula_reduced": "H4NClO2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.9234492896875,
"spacegroup": 113
},
{
"id": "jvasp-71743",
"created_at": "2022-09-04T14:36:02.410964Z",
"updated_at": "2022-09-04T14:36:02.410987Z",
"structure_string": "Na1 Be1 Cr2\n1.0\n-1.716524 1.716524 4.362453\n1.716524 -1.716524 4.362453\n1.716524 1.716524 -4.362453\nNa Be Cr\n1 1 2\ndirect\n0.250000 0.749999 0.499999 Na\n0.749999 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Cr"
],
"chemical_system": "Be-Cr-Na",
"density": 4.392166712111531,
"density_atomic": 0.07779818747176545,
"volume": 51.415079579478395,
"volume_molar": 7.740721160355513,
"formula_full": "Na1 Be1 Cr2",
"formula_reduced": "NaBeCr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.923374975,
"spacegroup": 139
},
{
"id": "jvasp-91490",
"created_at": "2022-09-04T14:36:08.623731Z",
"updated_at": "2022-09-04T14:36:08.623763Z",
"structure_string": "Li4 Ta4 Si4 O20\n1.0\n7.517398 -0.014904 0.000000\n-3.701996 6.552322 0.000000\n0.000000 0.000000 7.917233\nLi Ta Si O\n4 4 4 20\ndirect\n0.751130 0.308654 0.434216 Li\n0.248870 0.691346 0.565783 Li\n0.751130 0.808654 0.065783 Li\n0.248870 0.191347 0.934216 Li\n0.748430 0.007466 0.739446 Ta\n0.748430 0.507466 0.760553 Ta\n0.251570 0.992534 0.260553 Ta\n0.251570 0.492534 0.239447 Ta\n0.749575 0.740498 0.387928 Si\n0.749575 0.240499 0.112072 Si\n0.250425 0.259502 0.612072 Si\n0.250425 0.759502 0.887928 Si\n0.055368 0.649533 0.757968 O\n0.245033 0.935133 0.006957 O\n0.055368 0.149533 0.742031 O\n0.260639 0.588730 0.010535 O\n0.248950 0.247206 0.171812 O\n0.754967 0.564867 0.506957 O\n0.751050 0.752794 0.828187 O\n0.245033 0.435133 0.493043 O\n0.739361 0.411271 0.989464 O\n0.751050 0.252795 0.671812 O\n0.944632 0.350467 0.242031 O\n0.260640 0.088730 0.489464 O\n0.754967 0.064868 0.993043 O\n0.739360 0.911271 0.510535 O\n0.557332 0.148172 0.245540 O\n0.944632 0.850467 0.257968 O\n0.248950 0.747206 0.328187 O\n0.442668 0.851828 0.754459 O\n0.442668 0.351828 0.745540 O\n0.557332 0.648172 0.254459 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Ta",
"Si",
"O"
],
"chemical_system": "Li-O-Si-Ta",
"density": 5.0467216454194,
"density_atomic": 0.08214866757929713,
"volume": 389.53766315334065,
"volume_molar": 7.330783246346509,
"formula_full": "Li4 Ta4 Si4 O20",
"formula_reduced": "LiTaSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.9232981625,
"spacegroup": 14
},
{
"id": "jvasp-116346",
"created_at": "2022-09-04T14:38:41.349213Z",
"updated_at": "2022-09-04T14:38:41.349249Z",
"structure_string": "Ti1 Zn1 N2\n1.0\n2.941339 0.000000 0.000000\n0.000000 2.941339 0.000000\n-0.000000 0.000000 4.871285\nTi Zn N\n1 1 2\ndirect\n0.500001 0.500001 0.556789 Ti\n0.000000 0.000000 0.042812 Zn\n0.000000 0.000000 0.474641 N\n0.500001 0.500001 0.935757 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"N"
],
"chemical_system": "N-Ti-Zn",
"density": 5.56704813360765,
"density_atomic": 0.0949131286278129,
"volume": 42.14380094544538,
"volume_molar": 6.344897536372329,
"formula_full": "Ti1 Zn1 N2",
"formula_reduced": "TiZnN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9232288083333327,
"spacegroup": 99
},
{
"id": "jvasp-29611",
"created_at": "2022-09-04T14:38:02.057013Z",
"updated_at": "2022-09-04T14:38:02.057041Z",
"structure_string": "Cr3 Te4\n1.0\n4.007965 0.000000 0.000000\n-2.003982 3.470891 -0.034395\n0.000000 0.120822 12.442779\nCr Te\n3 4\ndirect\n-0.000000 -0.000000 0.500000 Cr\n0.999881 0.999762 0.236687 Cr\n0.000118 0.000237 0.763313 Cr\n0.666503 0.333008 0.124359 Te\n0.666728 0.333457 0.629074 Te\n0.333496 0.666991 0.875641 Te\n0.333271 0.666541 0.370926 Te\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Cr",
"Te"
],
"chemical_system": "Cr-Te",
"density": 6.392229958364786,
"density_atomic": 0.04043653829907472,
"volume": 173.11076304868007,
"volume_molar": 14.89281974500226,
"formula_full": "Cr3 Te4",
"formula_reduced": "Cr3Te4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.923216180952381,
"spacegroup": 164
},
{
"id": "jvasp-96826",
"created_at": "2022-09-04T14:36:22.222864Z",
"updated_at": "2022-09-04T14:36:22.222884Z",
"structure_string": "Bi10 Mo3 O24\n1.0\n5.535743 -0.000048 -1.327506\n-0.201601 8.677313 -0.840719\n0.009150 0.049215 12.243611\nBi Mo O\n10 3 24\ndirect\n0.475199 0.677628 0.925170 Bi\n0.774730 0.545933 0.386627 Bi\n0.550028 0.322369 0.074830 Bi\n0.272942 0.817668 0.475444 Bi\n0.089411 0.594880 0.150868 Bi\n0.388101 0.454069 0.613372 Bi\n0.175992 0.249255 0.297478 Bi\n0.938545 0.405118 0.849130 Bi\n0.878519 0.750742 0.702522 Bi\n0.797505 0.182335 0.524558 Bi\n0.679522 0.927442 0.248265 Mo\n-0.003317 -0.000003 -0.000000 Mo\n0.431264 0.072560 0.751737 Mo\n0.152917 0.161446 0.970531 O\n0.027045 0.687403 0.551315 O\n0.650428 0.580245 0.782004 O\n0.475724 0.312582 0.448686 O\n0.868420 0.419754 0.217996 O\n0.756570 0.935810 0.881323 O\n0.360473 0.412453 0.212635 O\n0.704557 0.774643 0.143805 O\n0.544517 0.830756 0.342690 O\n0.147841 0.587548 0.787366 O\n0.560767 0.225346 0.856201 O\n0.543635 0.651792 0.550929 O\n0.267200 0.917897 0.788536 O\n0.478644 0.082091 0.211458 O\n0.182374 0.838543 0.029467 O\n0.781369 0.500001 0.000000 O\n0.617726 0.003871 0.657503 O\n0.295606 0.499996 -0.000004 O\n0.875227 0.064182 0.118669 O\n0.103252 0.650136 0.345762 O\n0.960213 0.996146 0.342493 O\n0.757502 0.349882 0.654232 O\n0.201831 0.169254 0.657322 O\n0.992711 0.348210 0.449067 O\n",
"nsites": 37,
"nelements": 3,
"elements": [
"Bi",
"Mo",
"O"
],
"chemical_system": "Bi-Mo-O",
"density": 7.7926315779973985,
"density_atomic": 0.06287449167254963,
"volume": 588.4739425440767,
"volume_molar": 9.57803490700698,
"formula_full": "Bi10 Mo3 O24",
"formula_reduced": "Bi10(MoO8)3",
"formula_anonymous": "A3B10C24",
"energy_above_hull": 2.923107964864865,
"spacegroup": 5
},
{
"id": "jvasp-71027",
"created_at": "2022-09-04T14:35:42.844734Z",
"updated_at": "2022-09-04T14:35:42.844758Z",
"structure_string": "Mn1 Be1 Rh2\n1.0\n2.711494 0.000000 0.000000\n0.000000 2.711494 0.000000\n-0.000000 0.000000 6.343462\nMn Be Rh\n1 1 2\ndirect\n0.499999 0.499999 0.721665 Mn\n0.000000 0.000000 0.503296 Be\n0.000000 0.000000 0.977829 Rh\n0.499999 0.499999 0.297209 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Rh"
],
"chemical_system": "Be-Mn-Rh",
"density": 9.604726169607744,
"density_atomic": 0.08576623648679071,
"volume": 46.63839948971131,
"volume_molar": 7.021575163703842,
"formula_full": "Mn1 Be1 Rh2",
"formula_reduced": "MnBeRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.922919835344828,
"spacegroup": 99
},
{
"id": "jvasp-48408",
"created_at": "2022-09-04T14:35:59.383045Z",
"updated_at": "2022-09-04T14:35:59.383069Z",
"structure_string": "Li5 Ti2 V3 O10\n1.0\n5.096644 -0.002556 -0.003528\n0.837148 4.954178 0.017052\n2.421296 2.056504 7.013964\nLi Ti V O\n5 2 3 10\ndirect\n0.497623 0.777955 0.414186 Li\n0.522506 0.597237 0.778239 Li\n0.996894 0.503586 0.501102 Li\n0.497138 0.220694 0.591165 Li\n0.473423 0.401137 0.228418 Li\n0.005002 0.895601 0.699912 Ti\n0.989866 0.109939 0.302946 Ti\n0.484408 -0.002668 0.006817 V\n0.998019 0.682054 0.095763 V\n0.996494 0.322336 0.910037 V\n0.223665 0.137990 0.456543 O\n0.237182 0.964119 0.853691 O\n0.768416 0.866042 0.548594 O\n0.732544 0.659936 0.945938 O\n0.231192 0.755705 0.248912 O\n0.237334 0.558786 0.664228 O\n0.752723 0.444141 0.343027 O\n0.758855 0.234944 0.767087 O\n0.261285 0.346322 0.056787 O\n0.754709 0.043433 0.147557 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 4.159093817297592,
"density_atomic": 0.11301172979799508,
"volume": 176.9727800445969,
"volume_molar": 5.328774960585408,
"formula_full": "Li5 Ti2 V3 O10",
"formula_reduced": "Li5Ti2V3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.922899713333333,
"spacegroup": 1
},
{
"id": "jvasp-58501",
"created_at": "2022-09-04T14:36:48.426371Z",
"updated_at": "2022-09-04T14:36:48.426402Z",
"structure_string": "Mn4 Al2 O8\n1.0\n5.176585 0.042849 2.918870\n1.724913 4.880936 2.918870\n0.060059 0.042849 5.942493\nMn Al O\n4 2 8\ndirect\n-0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.624993 0.624995 0.624994 Al\n0.375005 0.375007 0.375006 Al\n0.249943 0.750011 0.750009 O\n0.249990 0.249991 0.750056 O\n0.249989 0.750057 0.249990 O\n0.249983 0.249984 0.249983 O\n0.750008 0.750011 0.249944 O\n0.750056 0.249991 0.249990 O\n0.750009 0.249944 0.750010 O\n0.750015 0.750018 0.750017 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Mn-O",
"density": 4.49415551188589,
"density_atomic": 0.09432219465498992,
"volume": 148.42741998539108,
"volume_molar": 6.3846486842547305,
"formula_full": "Mn4 Al2 O8",
"formula_reduced": "Mn2AlO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.922865897536945,
"spacegroup": 227
}
]
}