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=4106",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4104",
"results": [
{
"id": "jvasp-102679",
"created_at": "2022-09-04T14:36:52.559914Z",
"updated_at": "2022-09-04T14:36:52.559939Z",
"structure_string": "Sr1 Ce1 V1 O4\n1.0\n3.708763 0.058823 -5.751534\n-0.272392 3.699214 -5.751534\n-0.053788 -0.058823 6.843404\nSr Ce V O\n1 1 1 4\ndirect\n0.643760 0.643759 -0.000000 Sr\n0.356396 0.356396 -0.000000 Ce\n-0.002302 -0.002302 0.000000 V\n0.996610 0.496610 0.499999 O\n0.496610 0.996610 0.499999 O\n0.834749 0.834747 -0.000001 O\n0.174174 0.174173 -0.000000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Ce",
"V",
"O"
],
"chemical_system": "Ce-O-Sr-V",
"density": 6.217180543387879,
"density_atomic": 0.07648211224827152,
"volume": 91.52466889613393,
"volume_molar": 7.873920558641607,
"formula_full": "Sr1 Ce1 V1 O4",
"formula_reduced": "SrCeVO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.10248143,
"spacegroup": 107
},
{
"id": "jvasp-101073",
"created_at": "2022-09-04T14:37:04.416016Z",
"updated_at": "2022-09-04T14:37:04.416042Z",
"structure_string": "Zr1 Ti1 Pb2 O6\n1.0\n4.174010 0.008779 0.018667\n0.101384 4.169512 0.031335\n-0.027695 -0.051703 8.008409\nZr Ti Pb O\n1 1 2 6\ndirect\n0.531625 0.542600 0.269991 Zr\n0.506877 0.517684 0.770064 Ti\n0.979660 0.991197 0.008177 Pb\n0.979677 0.990933 0.527611 Pb\n0.048169 0.585257 0.272068 O\n0.068052 0.577515 0.771205 O\n0.575431 0.585420 0.008223 O\n0.575123 0.585254 0.533167 O\n0.575370 0.058622 0.271977 O\n0.567416 0.078123 0.771215 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Zr",
"Ti",
"Pb",
"O"
],
"chemical_system": "O-Pb-Ti-Zr",
"density": 7.738015943504271,
"density_atomic": 0.07174799885418977,
"volume": 139.37670959050092,
"volume_molar": 8.393461638196385,
"formula_full": "Zr1 Ti1 Pb2 O6",
"formula_reduced": "ZrTi(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.505819547333333,
"spacegroup": 38
},
{
"id": "jvasp-104543",
"created_at": "2022-09-04T14:36:51.131209Z",
"updated_at": "2022-09-04T14:36:51.131229Z",
"structure_string": "Li1 Ti1 V2 O6\n1.0\n2.947903 -0.002716 0.021657\n-1.457957 6.058220 -1.305721\n-0.044208 -0.009423 5.808131\nLi Ti V O\n1 1 2 6\ndirect\n0.670035 0.340399 0.836154 Li\n0.351404 0.702768 0.632240 Ti\n0.990224 0.980330 0.036288 V\n0.659553 0.319158 0.334000 V\n0.499951 0.000022 0.795856 O\n0.827252 0.654587 0.415287 O\n0.152438 0.305083 0.097092 O\n0.838701 0.677183 0.869758 O\n0.179249 0.358353 0.568736 O\n0.497242 -0.005785 0.252571 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 4.047262648340391,
"density_atomic": 0.09645587935694089,
"volume": 103.67434382091305,
"volume_molar": 6.243414916901746,
"formula_full": "Li1 Ti1 V2 O6",
"formula_reduced": "LiTiV2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.0516797733333334,
"spacegroup": 8
},
{
"id": "jvasp-101179",
"created_at": "2022-09-04T14:37:03.639309Z",
"updated_at": "2022-09-04T14:37:03.639328Z",
"structure_string": "K1 Tl1 Co4 Se4\n1.0\n3.860117 -0.000000 0.000000\n0.000000 3.860117 0.000000\n-0.000000 -0.000000 13.307244\nK Tl Co Se\n1 1 4 4\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Tl\n-0.000000 0.500000 0.253239 Co\n0.500000 0.000000 0.746760 Co\n0.500000 0.000000 0.253239 Co\n-0.000000 0.500000 0.746760 Co\n0.500000 0.500000 0.152348 Se\n0.000000 0.000000 0.646186 Se\n0.000000 0.000000 0.353814 Se\n0.500000 0.500000 0.847652 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"Co",
"Se"
],
"chemical_system": "Co-K-Se-Tl",
"density": 6.658200594192383,
"density_atomic": 0.05043255179651825,
"volume": 198.28463251963342,
"volume_molar": 11.94097967578106,
"formula_full": "K1 Tl1 Co4 Se4",
"formula_reduced": "KTl(CoSe)4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 2.015100766666668,
"spacegroup": 123
},
{
"id": "jvasp-79500",
"created_at": "2022-09-04T14:36:49.399845Z",
"updated_at": "2022-09-04T14:36:49.399869Z",
"structure_string": "V1 Fe1 Co1 Ge1\n1.0\n-2.873923 -2.873923 -0.000000\n-2.873923 0.000000 -2.873923\n0.000000 -2.873923 -2.873923\nV Fe Co Ge\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 V\n0.749999 0.749999 0.749999 Fe\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 4,
"elements": [
"V",
"Fe",
"Co",
"Ge"
],
"chemical_system": "Co-Fe-Ge-V",
"density": 8.337321303911645,
"density_atomic": 0.08425673219770426,
"volume": 47.473951287526766,
"volume_molar": 7.147370427171736,
"formula_full": "V1 Fe1 Co1 Ge1",
"formula_reduced": "VFeCoGe",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.9063116375,
"spacegroup": 216
},
{
"id": "jvasp-104793",
"created_at": "2022-09-04T14:36:51.098991Z",
"updated_at": "2022-09-04T14:36:51.099015Z",
"structure_string": "Li1 Co3 O1 F5\n1.0\n4.380752 0.033304 2.475518\n-1.328147 4.717421 -2.551913\n-0.069701 0.057940 5.134928\nLi Co O F\n1 3 1 5\ndirect\n0.138673 0.434276 0.164944 Li\n0.364883 0.023582 0.346217 Co\n0.642375 0.957286 0.625657 Co\n0.829845 0.556294 0.874356 Co\n0.578432 0.760225 0.240891 O\n0.073661 0.255258 0.445306 F\n0.254897 0.765083 0.934934 F\n0.761882 0.243357 0.047005 F\n0.421331 0.266562 0.769623 F\n0.934015 0.738072 0.551074 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.54753096568691,
"density_atomic": 0.0929178762481556,
"volume": 107.6219173724227,
"volume_molar": 6.481143352778188,
"formula_full": "Li1 Co3 O1 F5",
"formula_reduced": "LiCo3OF5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.28156676125,
"spacegroup": 1
},
{
"id": "jvasp-103990",
"created_at": "2022-09-04T14:36:50.000781Z",
"updated_at": "2022-09-04T14:36:50.000803Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n3.960950 -0.000582 -0.002379\n-1.979375 5.898601 -1.563372\n0.004987 -0.052042 10.401862\nSn H C Cl\n2 8 4 4\ndirect\n0.974004 0.964871 0.728478 Sn\n0.966969 0.964889 0.228481 Sn\n0.152677 0.786663 0.411856 H\n0.330287 0.143687 0.045198 H\n0.610942 0.786123 0.911820 H\n0.788501 0.143063 0.545055 H\n0.257015 0.193855 0.550343 H\n0.911886 0.193613 0.050294 H\n0.029401 0.736282 0.906689 H\n0.684142 0.735787 0.406603 H\n0.944386 0.867089 0.418850 C\n-0.003269 0.062592 0.538086 C\n0.041726 0.062728 0.038119 C\n0.899482 0.867124 0.918868 C\n0.327734 0.662814 0.138060 Cl\n0.629692 0.266964 0.318917 Cl\n0.311402 0.662779 0.638081 Cl\n0.613376 0.266962 0.818860 Cl\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"Cl"
],
"chemical_system": "C-Cl-H-Sn",
"density": 2.9786162012436916,
"density_atomic": 0.07416705901788925,
"volume": 242.6953453238366,
"volume_molar": 8.119697396316399,
"formula_full": "Sn2 H8 C4 Cl4",
"formula_reduced": "SnH4(CCl)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.982981092777778,
"spacegroup": 15
},
{
"id": "jvasp-43121",
"created_at": "2022-09-04T14:36:51.096304Z",
"updated_at": "2022-09-04T14:36:51.096315Z",
"structure_string": "Li2 V1 Cr1 O4\n1.0\n5.215158 -0.091867 -0.000000\n2.199809 4.729393 0.000000\n-3.707483 -2.318764 2.843277\nLi V Cr O\n2 1 1 4\ndirect\n0.250001 0.750000 0.500001 Li\n0.500001 0.499999 0.000000 Li\n0.000000 0.000000 0.000000 V\n0.750001 0.250000 0.500001 Cr\n0.519220 0.019219 0.500001 O\n0.232530 0.232530 0.000000 O\n0.980782 0.480781 0.500001 O\n0.767471 0.767469 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 4.246712688680854,
"density_atomic": 0.11314986223590276,
"volume": 70.70269324165008,
"volume_molar": 5.322269635153969,
"formula_full": "Li2 V1 Cr1 O4",
"formula_reduced": "Li2VCrO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.6510957,
"spacegroup": 119
},
{
"id": "jvasp-102795",
"created_at": "2022-09-04T14:36:57.440818Z",
"updated_at": "2022-09-04T14:36:57.440848Z",
"structure_string": "Ca1 Yb3 In2 Ge4\n1.0\n7.327123 -0.001048 0.000000\n-0.026732 7.327075 0.000000\n0.000000 0.000000 4.379875\nYb Ca In Ge\n3 1 2 4\ndirect\n0.174070 0.825929 -0.000000 Yb\n0.672721 0.673570 -0.000000 Yb\n0.326429 0.327279 -0.000000 Yb\n0.825294 0.174706 -0.000000 Ca\n0.500082 0.999717 0.500001 In\n0.000282 0.499918 0.500001 In\n0.376676 0.623324 0.500001 Ge\n0.620505 0.379494 0.500001 Ge\n0.124892 0.120952 0.500001 Ge\n0.879048 0.875107 0.500001 Ge\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Yb",
"Ca",
"In",
"Ge"
],
"chemical_system": "Ca-Ge-In-Yb",
"density": 7.622606284106008,
"density_atomic": 0.042527944399181866,
"volume": 235.1395098276223,
"volume_molar": 14.16043226419345,
"formula_full": "Ca1 Yb3 In2 Ge4",
"formula_reduced": "CaYb3(InGe2)2",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-103903",
"created_at": "2022-09-04T14:37:03.705258Z",
"updated_at": "2022-09-04T14:37:03.705278Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.692658 0.062373 0.152379\n1.070635 4.100915 0.780411\n0.010388 -0.060135 7.329476\nZn H C O\n1 4 4 4\ndirect\n0.839987 0.933781 0.284771 Zn\n0.982800 0.611490 0.672650 H\n0.158625 0.176205 0.737854 H\n0.521587 0.691603 0.831681 H\n0.697445 0.256322 0.896880 H\n0.465174 0.393447 0.526646 C\n0.234794 0.407711 0.702638 C\n0.445438 0.460090 0.866892 C\n0.215073 0.474332 0.042887 C\n0.405732 0.646557 0.399802 O\n0.709966 0.124698 0.513821 O\n0.274514 0.221254 0.169745 O\n0.970257 0.743087 0.055691 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.7232573542322656,
"density_atomic": 0.11747660668538328,
"volume": 110.66032946300186,
"volume_molar": 5.12624677364748,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.958581876923077,
"spacegroup": 2
},
{
"id": "jvasp-28520",
"created_at": "2022-09-04T14:36:49.983376Z",
"updated_at": "2022-09-04T14:36:49.983400Z",
"structure_string": "Mo1 W2 Se2 S4\n1.0\n3.235852 0.000001 0.000000\n-1.617925 2.799706 0.120304\n0.000003 1.061023 19.196226\nMo W Se S\n1 2 2 4\ndirect\n0.444721 0.889440 0.013255 Mo\n0.223297 0.446596 0.676824 W\n0.665289 0.330579 0.350884 W\n0.808037 0.616073 -0.075897 Se\n0.748057 0.496112 0.102424 Se\n0.304524 0.609044 0.432447 S\n0.584069 0.168140 0.595249 S\n0.529212 0.058424 0.758367 S\n0.359396 0.718791 0.269288 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 7.176459375031349,
"density_atomic": 0.051875011572173856,
"volume": 173.49393720092522,
"volume_molar": 11.608943453673024,
"formula_full": "Mo1 W2 Se2 S4",
"formula_reduced": "MoW2(SeS2)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 4.147319181481482,
"spacegroup": 160
},
{
"id": "jvasp-103958",
"created_at": "2022-09-04T14:36:57.419594Z",
"updated_at": "2022-09-04T14:36:57.419615Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.904088 0.010033 1.675721\n1.929812 4.583083 0.860352\n-0.054904 -0.108725 5.515136\nCd H C O\n1 2 3 4\ndirect\n0.893786 0.515992 0.501287 Cd\n0.584661 0.147015 0.880687 H\n0.594751 0.885201 0.121689 H\n0.122767 0.811694 0.819012 C\n0.736222 0.220235 0.183613 C\n0.749437 0.016038 0.001247 C\n0.967187 0.125873 0.302834 O\n0.481159 0.478480 0.222062 O\n0.164230 0.553442 0.780688 O\n0.378711 0.905980 0.699772 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.59677927392754,
"density_atomic": 0.10100091625879506,
"volume": 99.0090027933703,
"volume_molar": 5.962461513289092,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.627160375,
"spacegroup": 5
}
]
}