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=-nelements&page=132",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=130",
"results": [
{
"id": "jvasp-100897",
"created_at": "2022-09-04T14:37:05.267735Z",
"updated_at": "2022-09-04T14:37:05.267762Z",
"structure_string": "K2 Cu1 Au1 F6\n1.0\n5.177632 -0.000000 2.989307\n1.725877 4.881518 2.989307\n-0.000000 -0.000000 5.978614\nK Cu Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Au\n0.735318 0.264682 0.264682 F\n0.264682 0.264682 0.735318 F\n0.264682 0.735318 0.735318 F\n0.264682 0.735318 0.264682 F\n0.735318 0.264682 0.735318 F\n0.735318 0.735318 0.264682 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Cu",
"Au",
"F"
],
"chemical_system": "Au-Cu-F-K",
"density": 4.974765425629619,
"density_atomic": 0.0661779653270645,
"volume": 151.10769801667422,
"volume_molar": 9.099918273759851,
"formula_full": "K2 Cu1 Au1 F6",
"formula_reduced": "K2CuAuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102365",
"created_at": "2022-09-04T14:36:59.545411Z",
"updated_at": "2022-09-04T14:36:59.545442Z",
"structure_string": "K2 Na1 Au1 Br6\n1.0\n6.658800 -0.000000 3.844460\n2.219600 6.277977 3.844460\n-0.000000 -0.000000 7.688920\nK Na Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.756801 0.243199 0.243199 Br\n0.243199 0.243199 0.756801 Br\n0.243199 0.756801 0.756801 Br\n0.243199 0.756801 0.243199 Br\n0.756801 0.243199 0.756801 Br\n0.756801 0.756801 0.243199 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Au",
"Br"
],
"chemical_system": "Au-Br-K-Na",
"density": 4.01708883231675,
"density_atomic": 0.031111357874768118,
"volume": 321.4260219773366,
"volume_molar": 19.35672748274375,
"formula_full": "K2 Na1 Au1 Br6",
"formula_reduced": "K2NaAuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-10576",
"created_at": "2022-09-04T14:37:16.371529Z",
"updated_at": "2022-09-04T14:37:16.371550Z",
"structure_string": "Ba1 Al2 B2 O7\n1.0\n4.843418 0.003038 7.268412\n2.202124 4.313858 7.268412\n0.004960 0.003038 8.734328\nBa Al B O\n1 2 2 7\ndirect\n0.000000 0.000000 0.000000 Ba\n0.568622 0.568623 0.568622 Al\n0.431378 0.431379 0.431378 Al\n0.736651 0.736653 0.736651 B\n0.263348 0.263349 0.263348 B\n0.481869 0.960507 0.356314 O\n0.356314 0.481871 0.960507 O\n0.960506 0.356315 0.481870 O\n0.500000 0.500001 0.500000 O\n0.039493 0.518130 0.643686 O\n0.643686 0.039494 0.518129 O\n0.518129 0.643686 0.039493 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-Ba-O",
"density": 2.9608078730944007,
"density_atomic": 0.06585399628317477,
"volume": 182.22128765579433,
"volume_molar": 9.144685364430366,
"formula_full": "Ba1 Al2 B2 O7",
"formula_reduced": "BaAl2B2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.691605103055556,
"spacegroup": 155
},
{
"id": "jvasp-49137",
"created_at": "2022-09-04T14:36:58.613040Z",
"updated_at": "2022-09-04T14:36:58.613068Z",
"structure_string": "Li2 Mn1 Si1 O4\n1.0\n0.000000 4.466159 0.000000\n2.233080 -2.233080 4.206747\n4.466159 -0.000000 0.000000\nLi Mn Si O\n2 1 1 4\ndirect\n0.250000 0.500000 0.250000 Li\n0.750000 0.500000 0.750000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Si\n0.401936 0.230147 0.171791 O\n0.828209 0.230147 0.598064 O\n0.598064 0.769854 0.401936 O\n0.171791 0.769854 0.828209 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 3.184189280208216,
"density_atomic": 0.09534001866041165,
"volume": 83.91019964549122,
"volume_molar": 6.316487918310628,
"formula_full": "Li2 Mn1 Si1 O4",
"formula_reduced": "Li2MnSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.379224980172413,
"spacegroup": 121
},
{
"id": "jvasp-99938",
"created_at": "2022-09-04T14:36:59.584658Z",
"updated_at": "2022-09-04T14:36:59.584682Z",
"structure_string": "Rb2 W1 O2 F4\n1.0\n6.059200 0.086237 0.151132\n3.116672 5.196893 0.151132\n-0.021171 -0.012189 4.792258\nRb W O F\n2 1 2 4\ndirect\n0.323580 0.323580 0.303836 Rb\n0.676420 0.676420 0.696163 Rb\n0.000000 0.000000 0.000000 W\n0.148367 0.148367 0.795754 O\n0.851633 0.851633 0.204246 O\n0.693109 0.169506 0.765993 F\n0.169506 0.693109 0.765993 F\n0.306891 0.830494 0.234007 F\n0.830494 0.306891 0.234007 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Rb",
"W",
"O",
"F"
],
"chemical_system": "F-O-Rb-W",
"density": 5.135382335915032,
"density_atomic": 0.06014546164541379,
"volume": 149.63722538301056,
"volume_molar": 10.012627046581494,
"formula_full": "Rb2 W1 O2 F4",
"formula_reduced": "Rb2W(OF2)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.0483131255555551,
"spacegroup": 12
},
{
"id": "jvasp-103868",
"created_at": "2022-09-04T14:37:10.534359Z",
"updated_at": "2022-09-04T14:37:10.534370Z",
"structure_string": "Sn1 H8 C5 O4\n1.0\n4.777305 -0.084916 0.080976\n0.097338 5.804990 2.505210\n-0.104206 0.259077 6.579884\nSn H C O\n1 8 5 4\ndirect\n0.321268 0.069689 0.088866 Sn\n0.984361 0.801251 0.986330 H\n0.168832 0.992097 0.735641 H\n0.522122 0.140359 0.440284 H\n0.340362 0.736231 0.944529 H\n0.253986 0.350547 0.296515 H\n0.464283 0.631683 0.645743 H\n0.738893 0.754931 0.748393 H\n0.600800 0.392430 0.184217 H\n0.441578 0.261733 0.274953 C\n0.186918 0.874572 0.914887 C\n0.812685 0.773661 0.423135 C\n0.817358 0.405052 0.794291 C\n0.690322 0.647774 0.659111 C\n0.667604 0.226073 0.831320 O\n0.059201 0.855103 0.404899 O\n0.658759 0.793982 0.257582 O\n0.066930 0.395030 0.866213 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.3203360899966268,
"density_atomic": 0.10027764813810508,
"volume": 179.5016171022471,
"volume_molar": 6.005466693540863,
"formula_full": "Sn1 H8 C5 O4",
"formula_reduced": "SnH8C5O4",
"formula_anonymous": "AB4C5D8",
"energy_above_hull": 4.21717865,
"spacegroup": 1
},
{
"id": "jvasp-106707",
"created_at": "2022-09-04T14:36:58.637029Z",
"updated_at": "2022-09-04T14:36:58.637055Z",
"structure_string": "Tl2 Co3 Ni1 Se4\n1.0\n7.369977 -0.006625 0.000000\n-5.369448 5.048330 0.000000\n-0.000000 -0.000000 5.423084\nTl Co Ni Se\n2 3 1 4\ndirect\n0.500000 -0.000000 0.249732 Tl\n-0.000000 0.500000 0.750267 Tl\n0.500000 0.499999 0.500000 Co\n0.500000 0.499999 -0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Ni\n0.645259 0.846635 0.745868 Se\n0.153364 0.354740 0.254131 Se\n0.846635 0.645259 0.254131 Se\n0.354740 0.153364 0.745868 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tl",
"Co",
"Ni",
"Se"
],
"chemical_system": "Co-Ni-Se-Tl",
"density": 7.908982330468133,
"density_atomic": 0.04960840065240888,
"volume": 201.57876223559367,
"volume_molar": 12.139356804093172,
"formula_full": "Tl2 Co3 Ni1 Se4",
"formula_reduced": "Tl2Co3NiSe4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 1.7937413766666668,
"spacegroup": 21
},
{
"id": "jvasp-104126",
"created_at": "2022-09-04T14:36:59.599887Z",
"updated_at": "2022-09-04T14:36:59.599902Z",
"structure_string": "H12 C18 S4 O2\n1.0\n5.668618 -0.018911 -0.347312\n-0.388196 8.199753 -2.473543\n-0.001626 -0.231132 8.533727\nH C S O\n12 18 4 2\ndirect\n0.863500 0.907872 0.609344 H\n0.562621 0.914163 0.434235 H\n0.430067 0.039261 0.325180 H\n0.083570 0.137551 0.778196 H\n0.081483 0.491224 0.689168 H\n0.336432 0.486045 0.949350 H\n0.943247 0.021281 0.890198 H\n0.341076 0.755085 0.200457 H\n0.607909 0.394811 0.348143 H\n0.851289 0.652789 0.339845 H\n0.565380 0.136757 0.078141 H\n0.039924 0.219745 0.433330 H\n0.485376 0.723447 0.120491 C\n0.598624 0.015357 0.383316 C\n0.700206 0.167106 0.513109 C\n0.737619 0.426132 0.756526 C\n0.691432 0.817802 0.138858 C\n0.685128 0.559846 0.898842 C\n0.930264 0.403378 0.661900 C\n0.908718 0.256400 0.523780 C\n0.483721 0.577432 0.983610 C\n0.211487 0.839324 0.676216 C\n0.208130 0.203171 0.034984 C\n0.247403 0.449094 0.290630 C\n0.199792 0.596789 0.419626 C\n0.448256 0.360423 0.265164 C\n0.425893 0.220903 0.119514 C\n0.005504 0.824591 0.578043 C\n0.000185 0.686314 0.432816 C\n0.113246 0.079946 0.876247 C\n0.402038 0.684033 0.591884 S\n0.027729 0.358031 0.133016 S\n0.884660 0.729877 -0.011689 S\n0.529725 0.260929 0.674923 S\n0.281737 0.953733 0.823650 O\n0.763980 0.962322 0.256850 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6403905802061596,
"density_atomic": 0.09152873658232341,
"volume": 393.31909675843315,
"volume_molar": 6.579508234098179,
"formula_full": "H12 C18 S4 O2",
"formula_reduced": "H6C9S2O",
"formula_anonymous": "AB2C6D9",
"energy_above_hull": 5.303081305555556,
"spacegroup": 1
},
{
"id": "jvasp-100923",
"created_at": "2022-09-04T14:37:09.832167Z",
"updated_at": "2022-09-04T14:37:09.832193Z",
"structure_string": "Na2 Li1 Nd1 Cl6\n1.0\n6.330440 -0.000000 3.654881\n2.110147 5.968396 3.654881\n-0.000000 -0.000000 7.309763\nNa Li Nd Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Nd\n0.739419 0.260581 0.260580 Cl\n0.260581 0.260581 0.739419 Cl\n0.260581 0.739420 0.739418 Cl\n0.260581 0.739420 0.260580 Cl\n0.739419 0.260581 0.739419 Cl\n0.739419 0.739420 0.260580 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Nd",
"Cl"
],
"chemical_system": "Cl-Li-Na-Nd",
"density": 2.4644021090192245,
"density_atomic": 0.036208053319689085,
"volume": 276.1816525099469,
"volume_molar": 16.632047867443077,
"formula_full": "Na2 Li1 Nd1 Cl6",
"formula_reduced": "Na2LiNdCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-9194",
"created_at": "2022-09-04T14:37:16.706261Z",
"updated_at": "2022-09-04T14:37:16.706282Z",
"structure_string": "Ba2 Y1 Ni3 O8\n1.0\n3.864880 -0.000000 0.000000\n0.000000 3.864880 0.000000\n-0.000000 0.000000 11.577656\nBa Y Ni O\n2 1 3 8\ndirect\n0.500000 0.500000 0.829904 Ba\n0.500000 0.500000 0.170105 Ba\n0.500000 0.500000 0.499997 Y\n0.000000 0.000000 0.655073 Ni\n0.000000 0.000000 0.000045 Ni\n0.000000 0.000000 0.344927 Ni\n0.500000 0.000000 0.620921 O\n0.000000 0.500000 0.620921 O\n0.000000 0.500000 -0.000006 O\n0.000000 0.000000 0.820376 O\n0.500000 0.000000 0.379072 O\n0.000000 0.500000 0.379072 O\n0.000000 0.000000 0.179599 O\n0.500000 0.000000 -0.000006 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-Y",
"density": 6.410555822569614,
"density_atomic": 0.08095345076128042,
"volume": 172.93889103361263,
"volume_molar": 7.439016747733695,
"formula_full": "Ba2 Y1 Ni3 O8",
"formula_reduced": "Ba2YNi3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.0453087564285712,
"spacegroup": 123
},
{
"id": "jvasp-21298",
"created_at": "2022-09-04T14:37:09.826608Z",
"updated_at": "2022-09-04T14:37:09.826638Z",
"structure_string": "Mg2 Cu2 Si4 O12\n1.0\n4.892551 -0.062736 0.941303\n1.117739 6.475143 0.445829\n-0.147416 -0.123985 6.583770\nMg Cu Si O\n2 2 4 12\ndirect\n0.750001 0.267663 0.732354 Mg\n0.249999 0.732337 0.267647 Mg\n0.249996 0.099117 0.900876 Cu\n0.750001 0.900885 0.099124 Cu\n0.296873 0.208788 0.387968 Si\n0.203115 0.612037 0.791207 Si\n0.796883 0.387963 0.208793 Si\n0.703126 0.791212 0.612032 Si\n0.630516 0.976556 0.781863 O\n0.869474 0.218120 0.023457 O\n0.631535 0.606809 0.149579 O\n0.868487 0.850409 0.393202 O\n0.368464 0.393189 0.850421 O\n-0.092725 0.590569 0.708169 O\n0.092723 0.409431 0.291832 O\n0.407282 0.708158 0.590576 O\n0.369482 0.023443 0.218137 O\n0.592718 0.291843 0.409424 O\n0.131513 0.149590 0.606798 O\n0.130527 0.781880 0.976543 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Cu",
"Si",
"O"
],
"chemical_system": "Cu-Mg-O-Si",
"density": 3.794401027296765,
"density_atomic": 0.09520277234647984,
"volume": 210.07791587425876,
"volume_molar": 6.325593899811124,
"formula_full": "Mg2 Cu2 Si4 O12",
"formula_reduced": "MgCu(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.08543877,
"spacegroup": 15
},
{
"id": "jvasp-60695",
"created_at": "2022-09-04T14:37:05.226203Z",
"updated_at": "2022-09-04T14:37:05.226226Z",
"structure_string": "K2 V6 Se4 O24\n1.0\n3.565649 -6.175885 -0.000000\n3.565650 6.175885 0.000000\n0.000000 -0.000000 11.348484\nK V Se O\n2 6 4 24\ndirect\n0.333333 0.666667 0.947450 K\n0.666667 0.333333 0.447450 K\n0.789448 0.123402 0.783761 V\n0.666046 0.789448 0.283762 V\n0.123402 0.333954 0.283762 V\n0.876598 0.666046 0.783761 V\n0.333954 0.210553 0.783761 V\n0.210552 0.876599 0.283762 V\n0.000000 0.000000 0.056290 Se\n0.000000 0.000000 0.556290 Se\n0.333333 0.666667 0.516645 Se\n0.666667 0.333333 0.016646 Se\n0.746955 0.874457 0.817275 O\n0.919609 0.458611 0.757511 O\n0.080391 0.541390 0.257511 O\n0.458611 0.539002 0.257511 O\n0.539002 0.080391 0.757511 O\n0.253045 0.125543 0.317275 O\n0.127502 0.253045 0.817275 O\n0.125543 0.872499 0.817275 O\n0.874457 0.127502 0.317275 O\n0.872498 0.746955 0.317275 O\n0.120368 0.866444 0.123458 O\n0.198638 0.784062 0.450216 O\n0.866444 0.746076 0.623458 O\n0.133556 0.253924 0.123458 O\n0.746076 0.879632 0.123458 O\n0.879632 0.133556 0.623458 O\n0.541389 0.460998 0.757511 O\n0.414576 0.198638 0.950215 O\n0.784062 0.585424 0.950215 O\n0.215938 0.414576 0.450216 O\n0.585424 0.801362 0.450216 O\n0.801362 0.215938 0.950215 O\n0.253924 0.120368 0.623458 O\n0.460998 0.919609 0.257511 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"K",
"V",
"Se",
"O"
],
"chemical_system": "K-O-Se-V",
"density": 3.6003185906370616,
"density_atomic": 0.07202724519038069,
"volume": 499.81086885727285,
"volume_molar": 8.360920571212215,
"formula_full": "K2 V6 Se4 O24",
"formula_reduced": "KV3(SeO6)2",
"formula_anonymous": "AB2C3D12",
"energy_above_hull": 2.956606629629629,
"spacegroup": 173
}
]
}