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=943",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=941",
"results": [
{
"id": "jvasp-112751",
"created_at": "2022-09-04T14:38:41.305704Z",
"updated_at": "2022-09-04T14:38:41.305732Z",
"structure_string": "Li6 Nb2 V4 O12\n1.0\n5.175595 0.002280 -2.455339\n2.118700 6.260053 1.055215\n0.097084 0.185265 6.690330\nLi Nb V O\n6 2 4 12\ndirect\n0.750010 0.333310 0.166675 Li\n0.250004 0.333335 0.166669 Li\n0.758208 0.982661 0.495240 Li\n0.240604 0.997845 0.491347 Li\n0.741783 0.683990 0.838128 Li\n0.259381 0.668822 0.841982 Li\n0.474378 0.342346 0.658657 Nb\n0.025618 0.324325 0.674668 Nb\n0.467237 0.008267 -0.005600 V\n0.455836 0.688246 0.312524 V\n0.044162 0.978425 0.020806 V\n0.032766 0.658405 0.338932 V\n0.876785 0.313889 0.913801 O\n0.641457 0.006675 0.781483 O\n0.113996 -0.013126 0.745258 O\n0.858544 0.659995 0.551846 O\n0.386006 0.679797 0.588070 O\n0.627992 0.687138 0.103734 O\n0.112210 0.664363 0.072958 O\n0.872010 0.979531 0.229598 O\n0.387792 0.002305 0.260368 O\n0.623212 0.352782 0.419528 O\n0.105297 0.330776 0.390174 O\n0.394701 0.335896 0.943155 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Nb",
"V",
"O"
],
"chemical_system": "Li-Nb-O-V",
"density": 4.785604942821469,
"density_atomic": 0.1109837274702545,
"volume": 216.24791802413017,
"volume_molar": 5.426147505826053,
"formula_full": "Li6 Nb2 V4 O12",
"formula_reduced": "Li3NbV2O6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.9218607333333333,
"spacegroup": 2
},
{
"id": "jvasp-10817",
"created_at": "2022-09-04T14:37:12.347681Z",
"updated_at": "2022-09-04T14:37:12.347718Z",
"structure_string": "Mg1 V4 S8\n1.0\n6.880267 0.011413 0.008070\n3.450017 5.975604 0.000000\n3.450017 1.991868 5.633855\nMg V S\n1 4 8\ndirect\n0.500000 -0.000000 0.000000 Mg\n0.000001 0.500000 0.500000 V\n0.500001 0.499999 0.000000 V\n0.500001 0.500000 0.500000 V\n0.500001 0.000000 0.500000 V\n0.248312 0.254892 0.254892 S\n0.248312 0.254892 0.741905 S\n0.248312 0.741905 0.254892 S\n0.739470 0.253509 0.253509 S\n0.260532 0.746490 0.746490 S\n0.751690 0.745107 0.258094 S\n0.751690 0.258094 0.745107 S\n0.751690 0.745108 0.745107 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"V",
"S"
],
"chemical_system": "Mg-S-V",
"density": 3.4790126676984228,
"density_atomic": 0.05620499596015246,
"volume": 231.29616465441228,
"volume_molar": 10.714600467669289,
"formula_full": "Mg1 V4 S8",
"formula_reduced": "Mg(VS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.9218581423076926,
"spacegroup": 166
},
{
"id": "jvasp-37222",
"created_at": "2022-09-04T14:37:27.395545Z",
"updated_at": "2022-09-04T14:37:27.395562Z",
"structure_string": "Sm1 Th3\n1.0\n5.083216 -0.000000 -0.000000\n-0.000000 5.083216 -0.000000\n0.000000 0.000000 5.083216\nSm Th\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.500000 0.500000 Th\n0.500000 0.000000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Th"
],
"chemical_system": "Sm-Th",
"density": 10.701560705446557,
"density_atomic": 0.03045399680928499,
"volume": 131.34564980253944,
"volume_molar": 19.77454978311397,
"formula_full": "Sm1 Th3",
"formula_reduced": "SmTh3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.92181641875,
"spacegroup": 221
},
{
"id": "jvasp-48172",
"created_at": "2022-09-04T14:36:08.859022Z",
"updated_at": "2022-09-04T14:36:08.859050Z",
"structure_string": "Li5 Ti2 Co5 O12\n1.0\n5.028144 0.007586 -0.001870\n-2.515833 -4.408964 0.010575\n-1.888921 0.059361 -9.548883\nLi Ti Co O\n5 2 5 12\ndirect\n0.332049 0.157523 0.993577 Li\n0.819828 0.148275 0.506137 Li\n0.176076 0.858579 0.503614 Li\n0.918208 0.835455 0.749995 Li\n0.687664 0.868234 0.996904 Li\n0.253422 0.505498 0.750068 Ti\n0.753262 0.506071 0.250120 Ti\n0.405345 0.818896 0.245502 Co\n0.499431 0.504993 0.499583 Co\n0.582794 0.165510 0.750015 Co\n0.100447 0.194361 0.254125 Co\n0.011651 0.515671 0.000705 Co\n0.524004 0.829423 0.633825 O\n0.228748 0.182411 0.633464 O\n0.479573 0.183031 0.369470 O\n0.118542 0.511550 0.377234 O\n0.613640 0.479423 0.864953 O\n0.308660 0.833497 0.866349 O\n0.955561 0.187827 0.866567 O\n0.026986 0.832564 0.128166 O\n0.389283 0.504158 0.122696 O\n0.711182 0.185903 0.131119 O\n0.863652 0.475907 0.635078 O\n0.797228 0.829641 0.370677 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 4.844562140467135,
"density_atomic": 0.11346520304225868,
"volume": 211.51859210141723,
"volume_molar": 5.307478062465661,
"formula_full": "Li5 Ti2 Co5 O12",
"formula_reduced": "Li5Ti2Co5O12",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 2.9217138819444446,
"spacegroup": 5
},
{
"id": "jvasp-45133",
"created_at": "2022-09-04T14:37:35.928138Z",
"updated_at": "2022-09-04T14:37:35.928159Z",
"structure_string": "Li4 Fe2 As2 C2 O14\n1.0\n0.000000 5.018637 -0.005231\n6.560819 0.000000 0.000000\n0.000000 -0.377462 -8.581615\nLi Fe As C O\n4 2 2 2 14\ndirect\n0.792964 0.482920 0.204025 Li\n0.792964 0.017080 0.204025 Li\n0.207037 0.517081 0.795974 Li\n0.207037 0.982920 0.795974 Li\n0.219944 0.250000 0.344786 Fe\n0.780057 0.750000 0.655213 Fe\n0.281021 0.750000 0.417660 As\n0.718980 0.250000 0.582339 As\n0.256968 0.250000 0.047810 C\n0.743033 0.750000 0.952189 C\n0.543965 0.750000 0.847146 O\n0.828109 0.044123 0.687333 O\n0.828109 0.455877 0.687333 O\n0.175984 0.750000 0.606488 O\n0.373926 0.250000 0.557235 O\n0.626075 0.750000 0.442765 O\n0.020239 0.250000 0.105145 O\n0.171892 0.544123 0.312667 O\n0.171892 0.955877 0.312667 O\n0.456036 0.250000 0.152853 O\n0.979762 0.750000 0.894854 O\n0.705576 0.750000 0.097225 O\n0.824017 0.250000 0.393512 O\n0.294425 0.250000 0.902774 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Fe",
"As",
"C",
"O"
],
"chemical_system": "As-C-Fe-Li-O",
"density": 3.1574857903896376,
"density_atomic": 0.08493339103109096,
"volume": 282.57437632761525,
"volume_molar": 7.090427789225463,
"formula_full": "Li4 Fe2 As2 C2 O14",
"formula_reduced": "Li2FeAsCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.9214101458333337,
"spacegroup": 11
},
{
"id": "jvasp-15817",
"created_at": "2022-09-04T14:35:53.832439Z",
"updated_at": "2022-09-04T14:35:53.832464Z",
"structure_string": "Ti5 Te4\n1.0\n3.631043 -0.000000 0.952847\n1.815522 7.224048 0.476423\n-0.018108 0.000001 7.463889\nTi Te\n5 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.314483 0.064328 0.306705 Ti\n0.621188 0.693295 0.064328 Ti\n0.378810 0.306705 0.935673 Ti\n0.685515 0.935673 0.693295 Ti\n0.059407 0.219971 0.661213 Te\n0.720619 0.338787 0.219972 Te\n0.279378 0.661213 0.780029 Te\n0.940591 0.780029 0.338787 Te\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ti",
"Te"
],
"chemical_system": "Te-Ti",
"density": 6.354820569858658,
"density_atomic": 0.04593978084324685,
"volume": 195.90864028518763,
"volume_molar": 13.108771198862295,
"formula_full": "Ti5 Te4",
"formula_reduced": "Ti5Te4",
"formula_anonymous": "A4B5",
"energy_above_hull": 2.921400303703704,
"spacegroup": 87
},
{
"id": "jvasp-111817",
"created_at": "2022-09-04T14:38:38.905946Z",
"updated_at": "2022-09-04T14:38:38.905970Z",
"structure_string": "Hf2 Ti2 O8\n1.0\n4.724085 0.000000 0.000000\n0.000000 5.106497 0.000000\n0.000000 0.000000 5.662035\nHf Ti O\n2 2 8\ndirect\n0.000000 0.000000 0.080870 Hf\n0.500000 0.500000 0.919131 Hf\n0.000000 0.500000 0.426967 Ti\n0.500000 0.000000 0.573034 Ti\n0.720285 0.161453 0.854076 O\n0.779716 0.661453 0.145925 O\n0.220285 0.338548 0.145925 O\n0.279716 0.838548 0.854076 O\n0.264717 0.325156 0.626178 O\n0.235284 0.825156 0.373823 O\n0.764717 0.174844 0.373823 O\n0.735284 0.674844 0.626178 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hf",
"Ti",
"O"
],
"chemical_system": "Hf-O-Ti",
"density": 7.059833683063983,
"density_atomic": 0.08785528907679008,
"volume": 136.588247857353,
"volume_molar": 6.854613789656234,
"formula_full": "Hf2 Ti2 O8",
"formula_reduced": "HfTiO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.92134588888889,
"spacegroup": 18
},
{
"id": "jvasp-15259",
"created_at": "2022-09-04T14:37:03.682940Z",
"updated_at": "2022-09-04T14:37:03.682965Z",
"structure_string": "Lu1 B1 Rh3\n1.0\n4.162950 -0.000000 -0.000000\n0.000000 4.162950 -0.000000\n0.000000 0.000000 4.162950\nLu B Rh\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Lu",
"B",
"Rh"
],
"chemical_system": "B-Lu-Rh",
"density": 11.381695926280713,
"density_atomic": 0.0693052955889982,
"volume": 72.1445591928724,
"volume_molar": 8.689293810552593,
"formula_full": "Lu1 B1 Rh3",
"formula_reduced": "LuBRh3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.9211154666666665,
"spacegroup": 221
},
{
"id": "jvasp-112406",
"created_at": "2022-09-04T14:38:40.991686Z",
"updated_at": "2022-09-04T14:38:40.991728Z",
"structure_string": "Li1 Fe1 P3 O9\n1.0\n5.973410 -0.018802 -1.913036\n-2.573318 5.401571 -1.868322\n0.005957 -0.014370 6.263715\nLi Fe P O\n1 1 3 9\ndirect\n0.373472 0.373084 0.373113 Li\n0.989832 0.990621 0.990141 Fe\n0.037783 0.912727 0.486518 P\n0.913114 0.486786 0.037079 P\n0.487046 0.038348 0.914300 P\n0.266706 0.866113 0.639604 O\n0.091524 0.386096 0.134394 O\n0.637282 0.899810 0.968480 O\n0.897780 0.964676 0.635289 O\n0.135565 0.090865 0.385738 O\n0.866867 0.638348 0.266360 O\n0.386093 0.135757 0.091782 O\n0.964441 0.636209 0.897017 O\n0.638488 0.266549 0.866179 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.4682008926072925,
"density_atomic": 0.06943364542632723,
"volume": 201.63135485741913,
"volume_molar": 8.673231432720627,
"formula_full": "Li1 Fe1 P3 O9",
"formula_reduced": "LiFe(PO3)3",
"formula_anonymous": "ABC3D9",
"energy_above_hull": 2.921085964285714,
"spacegroup": 146
},
{
"id": "jvasp-74417",
"created_at": "2022-09-04T14:36:11.368844Z",
"updated_at": "2022-09-04T14:36:11.368871Z",
"structure_string": "Be1 Re1 Bi2\n1.0\n4.842345 0.000000 0.000000\n-0.000000 4.842345 0.000000\n-0.000000 -0.000000 3.509647\nBe Re Bi\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Be\n0.500001 0.500001 0.500000 Re\n0.500001 0.000000 0.000000 Bi\n0.000000 0.500001 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Re",
"Bi"
],
"chemical_system": "Be-Bi-Re",
"density": 12.37263417276561,
"density_atomic": 0.0486054644791908,
"volume": 82.2952736458778,
"volume_molar": 12.38984304445486,
"formula_full": "Be1 Re1 Bi2",
"formula_reduced": "BeReBi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.920915675,
"spacegroup": 123
},
{
"id": "jvasp-99024",
"created_at": "2022-09-04T14:36:21.337652Z",
"updated_at": "2022-09-04T14:36:21.337679Z",
"structure_string": "Na12 Fe4 C8 S2 O32\n1.0\n8.530676 -0.000000 4.925188\n2.843559 8.042798 4.925188\n-0.000000 -0.000000 9.850376\nNa Fe C S O\n12 4 8 2 32\ndirect\n0.908945 0.908945 0.341055 Na\n0.908945 0.341055 0.908945 Na\n0.908945 0.341055 0.341055 Na\n0.341055 0.341055 0.908945 Na\n0.341055 0.908945 0.341055 Na\n0.341055 0.908945 0.908945 Na\n0.658945 0.091055 0.091055 Na\n0.091055 0.658945 0.091055 Na\n0.091055 0.091055 0.658945 Na\n0.658945 0.658945 0.091055 Na\n0.658945 0.091055 0.658945 Na\n0.091055 0.658945 0.658945 Na\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.280545 0.280545 0.658364 C\n0.280545 0.280545 0.280545 C\n0.719455 0.719455 0.341636 C\n0.719455 0.341636 0.719455 C\n0.341636 0.719455 0.719455 C\n0.719455 0.719455 0.719455 C\n0.280545 0.658364 0.280545 C\n0.658364 0.280545 0.280545 C\n0.875000 0.875000 0.875000 S\n0.125000 0.125000 0.125000 S\n0.861701 0.339788 0.601333 O\n0.138299 0.660212 0.398667 O\n0.660212 0.138299 0.302822 O\n0.302822 0.398667 0.660212 O\n0.339789 0.697178 0.601333 O\n0.861701 0.601333 0.697178 O\n0.697178 0.861701 0.601333 O\n0.339789 0.601333 0.861701 O\n0.138299 0.302822 0.660212 O\n0.601333 0.697178 0.861701 O\n0.697178 0.339788 0.861701 O\n0.660212 0.302822 0.398667 O\n0.660212 0.398667 0.138299 O\n0.861701 0.697178 0.339789 O\n0.310499 0.063167 0.063167 O\n0.601333 0.861701 0.339789 O\n0.339789 0.861701 0.697178 O\n0.697178 0.601333 0.339789 O\n0.601333 0.339788 0.697178 O\n0.936833 0.936833 0.936833 O\n0.689502 0.936833 0.936833 O\n0.398667 0.138299 0.660212 O\n0.936833 0.936833 0.689502 O\n0.398667 0.660212 0.302822 O\n0.936833 0.689502 0.936833 O\n0.063167 0.310498 0.063167 O\n0.063167 0.063167 0.310499 O\n0.398667 0.302822 0.138299 O\n0.138299 0.398667 0.302822 O\n0.302822 0.138299 0.398667 O\n0.302823 0.660212 0.138299 O\n0.063167 0.063167 0.063167 O\n",
"nsites": 58,
"nelements": 5,
"elements": [
"Na",
"Fe",
"C",
"S",
"O"
],
"chemical_system": "C-Fe-Na-O-S",
"density": 2.8782650442906066,
"density_atomic": 0.0858192226674827,
"volume": 675.8392606832184,
"volume_molar": 7.017239929256338,
"formula_full": "Na12 Fe4 C8 S2 O32",
"formula_reduced": "Na6Fe2C4SO16",
"formula_anonymous": "AB2C4D6E16",
"energy_above_hull": 2.920747620689656,
"spacegroup": 203
},
{
"id": "jvasp-75704",
"created_at": "2022-09-04T14:35:51.475041Z",
"updated_at": "2022-09-04T14:35:51.475071Z",
"structure_string": "Mo1 As1 Se1\n1.0\n-0.000000 3.124486 3.124486\n3.124486 0.000000 3.124486\n3.124486 3.124486 -0.000000\nMo As Se\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Mo\n0.500001 0.500001 0.500001 As\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mo",
"As",
"Se"
],
"chemical_system": "As-Mo-Se",
"density": 6.800069292178106,
"density_atomic": 0.04917626154351974,
"volume": 61.00504401590341,
"volume_molar": 12.246032071125533,
"formula_full": "Mo1 As1 Se1",
"formula_reduced": "MoAsSe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.9204870055555547,
"spacegroup": 216
}
]
}