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=4510",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4508",
"results": [
{
"id": "jvasp-9783",
"created_at": "2022-09-04T14:37:08.650907Z",
"updated_at": "2022-09-04T14:37:08.650931Z",
"structure_string": "Li4 Ti2 Si2 O10\n1.0\n6.481671 0.000000 0.000000\n0.000000 6.481671 -0.000000\n0.000000 -0.000000 4.400459\nLi Ti Si O\n4 2 2 10\ndirect\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.750000 0.750000 0.500000 Li\n0.250000 0.250000 0.500000 Li\n0.000000 0.500000 0.900099 Ti\n0.500000 0.000000 0.099901 Ti\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.794730 0.000000 0.219944 O\n0.500000 0.705270 0.219944 O\n0.500000 0.294730 0.219944 O\n0.205270 0.000000 0.219944 O\n0.000000 0.500000 0.292576 O\n0.000000 0.794730 0.780056 O\n0.500000 0.000000 0.707424 O\n0.294730 0.500000 0.780056 O\n0.000000 0.205270 0.780056 O\n0.705270 0.500000 0.780056 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Si",
"O"
],
"chemical_system": "Li-O-Si-Ti",
"density": 3.050881879111672,
"density_atomic": 0.09736448251380779,
"volume": 184.87234292491948,
"volume_molar": 6.1851515095825285,
"formula_full": "Li4 Ti2 Si2 O10",
"formula_reduced": "Li2TiSiO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.359214937037037,
"spacegroup": 129
},
{
"id": "jvasp-102263",
"created_at": "2022-09-04T14:37:12.539641Z",
"updated_at": "2022-09-04T14:37:12.539662Z",
"structure_string": "Rb2 Ag1 Mo1 Cl6\n1.0\n6.277150 -0.000000 3.624114\n2.092383 5.918153 3.624114\n-0.000000 -0.000000 7.248228\nRb Ag Mo Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Mo\n0.760677 0.239323 0.239322 Cl\n0.239323 0.239323 0.760677 Cl\n0.239323 0.760677 0.760677 Cl\n0.239323 0.760677 0.239323 Cl\n0.760677 0.239323 0.760677 Cl\n0.760677 0.760677 0.239322 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ag",
"Mo",
"Cl"
],
"chemical_system": "Ag-Cl-Mo-Rb",
"density": 3.6228319376184333,
"density_atomic": 0.03713808095386168,
"volume": 269.26539398800526,
"volume_molar": 16.215541043926255,
"formula_full": "Rb2 Ag1 Mo1 Cl6",
"formula_reduced": "Rb2AgMoCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.3993327565,
"spacegroup": 225
},
{
"id": "jvasp-48630",
"created_at": "2022-09-04T14:37:12.538348Z",
"updated_at": "2022-09-04T14:37:12.538377Z",
"structure_string": "Li4 Mn6 O2 F12\n1.0\n5.881925 -0.134997 -0.091293\n0.735741 6.563528 -0.021536\n2.411063 2.670090 7.231839\nLi Mn O F\n4 6 2 12\ndirect\n0.290293 0.876816 0.484904 Li\n0.094575 0.314757 0.085222 Li\n0.905425 0.685243 0.914778 Li\n0.709707 0.123183 0.515096 Li\n0.744429 0.548872 0.655662 Mn\n0.897854 0.812437 0.225489 Mn\n0.379493 0.754760 0.937685 Mn\n0.620507 0.245240 0.062315 Mn\n0.102146 0.187563 0.774511 Mn\n0.255571 0.451128 0.344338 Mn\n0.091033 0.588741 0.133846 O\n0.908967 0.411258 0.866154 O\n0.579179 0.558169 0.129988 F\n0.080409 0.708766 0.448594 F\n0.420821 0.441830 0.870012 F\n0.583171 0.724037 0.443115 F\n0.767473 0.968304 0.989268 F\n0.172839 0.877753 0.732736 F\n0.317886 0.152363 0.282839 F\n0.682114 0.847637 0.717161 F\n0.827161 0.122247 0.267264 F\n0.232527 0.031696 0.010732 F\n0.416829 0.275963 0.556885 F\n0.919592 0.291234 0.551406 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.641520322437781,
"density_atomic": 0.08525071259507028,
"volume": 281.5225734709909,
"volume_molar": 7.06403568566562,
"formula_full": "Li4 Mn6 O2 F12",
"formula_reduced": "Li2Mn3OF6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.3885030765948274,
"spacegroup": 2
},
{
"id": "jvasp-34477",
"created_at": "2022-09-04T14:37:19.286789Z",
"updated_at": "2022-09-04T14:37:19.286815Z",
"structure_string": "K2 Th1 Cu2 S4\n1.0\n4.019043 0.000000 0.000000\n-2.009522 6.829810 -2.478878\n0.000000 -0.000868 7.568253\nK Th Cu S\n2 1 2 4\ndirect\n0.137684 0.275367 0.564045 K\n0.862315 0.724632 0.435954 K\n0.000000 0.000000 0.000000 Th\n0.680881 0.361762 0.989377 Cu\n0.319119 0.638237 0.010622 Cu\n0.521804 0.043608 0.758469 S\n0.478196 0.956391 0.241530 S\n0.203018 0.406035 0.179348 S\n0.796982 0.593965 0.820651 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"K",
"Th",
"Cu",
"S"
],
"chemical_system": "Cu-K-S-Th",
"density": 4.521051113187562,
"density_atomic": 0.04332451118377006,
"volume": 207.73459997793398,
"volume_molar": 13.900077797660126,
"formula_full": "K2 Th1 Cu2 S4",
"formula_reduced": "K2Th(CuS2)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 0.9352125000000002,
"spacegroup": 12
},
{
"id": "jvasp-109898",
"created_at": "2022-09-04T14:37:26.913485Z",
"updated_at": "2022-09-04T14:37:26.913511Z",
"structure_string": "Rb2 Na1 Sc1 Cl6\n1.0\n6.318418 -0.000000 3.647940\n2.106139 5.957061 3.647940\n-0.000000 -0.000000 7.295880\nRb Na Sc Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sc\n0.759623 0.240377 0.240377 Cl\n0.240377 0.240377 0.759623 Cl\n0.240377 0.759623 0.759623 Cl\n0.240377 0.759623 0.240377 Cl\n0.759623 0.240377 0.759623 Cl\n0.759623 0.759623 0.240377 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Sc",
"Cl"
],
"chemical_system": "Cl-Na-Rb-Sc",
"density": 2.730764550345338,
"density_atomic": 0.036415134372378574,
"volume": 274.61109707136353,
"volume_molar": 16.53746680821775,
"formula_full": "Rb2 Na1 Sc1 Cl6",
"formula_reduced": "Rb2NaScCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-85269",
"created_at": "2022-09-04T14:37:12.513871Z",
"updated_at": "2022-09-04T14:37:12.513892Z",
"structure_string": "Rb4 Cu2 Br4 Cl4\n1.0\n6.493311 -0.000000 -2.893462\n-0.000000 7.109268 0.000000\n0.105199 -0.000000 8.968732\nRb Cu Br Cl\n4 2 4 4\ndirect\n0.134592 0.500000 0.269183 Rb\n0.634592 0.000000 0.269183 Rb\n0.865408 0.500000 0.730817 Rb\n0.365408 0.000000 0.730817 Rb\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.156996 0.000000 0.313991 Br\n0.843004 0.000000 0.686009 Br\n0.656996 0.500000 0.313991 Br\n0.343004 0.500000 0.686009 Br\n0.772790 0.227199 0.000000 Cl\n0.227210 0.772801 0.000000 Cl\n0.272790 0.272801 0.000000 Cl\n0.727210 0.727200 0.000000 Cl\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Rb",
"Cu",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Cu-Rb",
"density": 3.712175628308957,
"density_atomic": 0.03363890569272459,
"volume": 416.1847631989977,
"volume_molar": 17.902308758225942,
"formula_full": "Rb4 Cu2 Br4 Cl4",
"formula_reduced": "Rb2Cu(BrCl)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.0,
"spacegroup": 64
},
{
"id": "jvasp-109876",
"created_at": "2022-09-04T14:37:26.923034Z",
"updated_at": "2022-09-04T14:37:26.923063Z",
"structure_string": "Na2 Tl1 As1 F6\n1.0\n5.645142 -0.000000 3.259224\n1.881714 5.322291 3.259224\n-0.000000 -0.000000 6.518449\nNa Tl As F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.499999 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.777276 0.222723 0.222723 F\n0.222723 0.222723 0.777277 F\n0.222723 0.777277 0.777277 F\n0.222723 0.777277 0.222723 F\n0.777276 0.222723 0.777276 F\n0.777276 0.777277 0.222723 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Tl",
"As",
"F"
],
"chemical_system": "As-F-Na-Tl",
"density": 3.7244974841923164,
"density_atomic": 0.05106016818763067,
"volume": 195.8473768290975,
"volume_molar": 11.794204707415878,
"formula_full": "Na2 Tl1 As1 F6",
"formula_reduced": "Na2TlAsF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-57845",
"created_at": "2022-09-04T14:37:18.803595Z",
"updated_at": "2022-09-04T14:37:18.803622Z",
"structure_string": "Na4 Zn2 Si4 O12\n1.0\n5.712424 -0.051724 -0.165853\n-2.331699 5.215136 -0.165853\n0.064938 0.099180 9.980392\nNa Zn Si O\n4 2 4 12\ndirect\n0.387335 0.741593 0.105401 Na\n0.258408 0.612666 0.394599 Na\n0.612665 0.258408 0.894599 Na\n0.741592 0.387336 0.605401 Na\n0.728909 0.271092 0.250000 Zn\n0.271091 0.728910 0.750000 Zn\n0.167278 0.138941 0.137983 Si\n0.832722 0.861061 0.862017 Si\n0.138941 0.167278 0.637983 Si\n0.861059 0.832723 0.362017 Si\n0.091352 0.367536 0.192323 O\n0.908648 0.632465 0.807677 O\n0.000000 -0.000000 0.500000 O\n0.367536 0.091353 0.692323 O\n0.470844 0.229229 0.107647 O\n0.091966 0.908035 0.250000 O\n0.229229 0.470844 0.607647 O\n0.632464 0.908649 0.307678 O\n0.770771 0.529157 0.392353 O\n0.908034 0.091967 0.750000 O\n0.529156 0.770772 0.892353 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Zn",
"Si",
"O"
],
"chemical_system": "Na-O-Si-Zn",
"density": 2.953947738189571,
"density_atomic": 0.07424609021691563,
"volume": 296.311899195302,
"volume_molar": 8.111054390077452,
"formula_full": "Na4 Zn2 Si4 O12",
"formula_reduced": "Na2Zn(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.7268960545454544,
"spacegroup": 15
},
{
"id": "jvasp-109439",
"created_at": "2022-09-04T14:37:26.930547Z",
"updated_at": "2022-09-04T14:37:26.930575Z",
"structure_string": "K2 Na1 Sb1 I6\n1.0\n7.409204 -0.000000 4.277706\n2.469735 6.985465 4.277706\n-0.000000 -0.000000 8.555412\nK Na Sb I\n2 1 1 6\ndirect\n0.749999 0.749999 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Sb\n0.751648 0.248352 0.248353 I\n0.248352 0.248352 0.751648 I\n0.248351 0.751648 0.751649 I\n0.248351 0.751648 0.248353 I\n0.751648 0.248352 0.751649 I\n0.751647 0.751648 0.248353 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Sb",
"I"
],
"chemical_system": "I-K-Na-Sb",
"density": 3.6914846935692602,
"density_atomic": 0.02258354929597599,
"volume": 442.8001935808129,
"volume_molar": 26.66605094298904,
"formula_full": "K2 Na1 Sb1 I6",
"formula_reduced": "K2NaSbI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-34318",
"created_at": "2022-09-04T14:37:12.583385Z",
"updated_at": "2022-09-04T14:37:12.583398Z",
"structure_string": "Ba3 Ga2 Ge4 O14\n1.0\n4.342493 -7.521418 0.000000\n4.342493 7.521418 -0.000000\n0.000000 0.000000 5.082448\nBa Ga Ge O\n3 2 4 14\ndirect\n-0.000000 0.571717 0.000000 Ba\n0.571717 -0.000000 0.000000 Ba\n0.428282 0.428282 0.000000 Ba\n0.666667 0.333333 0.500896 Ga\n0.333333 0.666667 0.499105 Ga\n0.756145 0.756145 0.500000 Ge\n-0.000000 0.243855 0.500000 Ge\n0.243855 -0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.835571 0.282728 0.347963 O\n0.903948 0.794407 0.770037 O\n0.447157 0.164428 0.347963 O\n0.666667 0.333333 0.851330 O\n0.552843 0.717271 0.652037 O\n0.282728 0.835571 0.652037 O\n0.333333 0.666667 0.148671 O\n0.096051 0.890459 0.229963 O\n0.109541 0.205592 0.229963 O\n0.205592 0.109541 0.770037 O\n0.717271 0.552843 0.347963 O\n0.164428 0.447157 0.652037 O\n0.890459 0.096051 0.770037 O\n0.794407 0.903948 0.229963 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ba",
"Ga",
"Ge",
"O"
],
"chemical_system": "Ba-Ga-Ge-O",
"density": 5.331578301936738,
"density_atomic": 0.0692765169414631,
"volume": 332.00283466090565,
"volume_molar": 8.692903491508611,
"formula_full": "Ba3 Ga2 Ge4 O14",
"formula_reduced": "Ba3Ga2(Ge2O7)2",
"formula_anonymous": "A2B3C4D14",
"energy_above_hull": 1.8575993634782608,
"spacegroup": 150
},
{
"id": "jvasp-28579",
"created_at": "2022-09-04T14:37:09.448278Z",
"updated_at": "2022-09-04T14:37:09.448289Z",
"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.257352 -0.000008 -0.000431\n-1.628682 2.820980 0.000038\n-0.004523 -0.002253 33.754069\nMo W Se S\n2 2 4 4\ndirect\n0.333204 0.666539 0.090376 Mo\n0.666717 0.333291 0.280515 Mo\n0.333418 0.666713 0.470581 W\n0.666661 0.333450 0.661445 W\n0.666429 0.333243 0.040117 Se\n0.666599 0.333294 0.419967 Se\n0.666639 0.333128 0.140691 Se\n0.666942 0.333543 0.521193 Se\n0.333554 0.666753 0.326319 S\n0.333538 0.666914 0.707429 S\n0.333147 0.666474 0.234703 S\n0.333160 0.666657 0.615413 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.373354648454966,
"density_atomic": 0.038689314777010625,
"volume": 310.1631566535383,
"volume_molar": 15.565384899446151,
"formula_full": "Mo2 W2 Se4 S4",
"formula_reduced": "MoW(SeS)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.673542105555556,
"spacegroup": 156
},
{
"id": "jvasp-57559",
"created_at": "2022-09-04T14:37:18.783449Z",
"updated_at": "2022-09-04T14:37:18.783475Z",
"structure_string": "Pr6 Cu2 Sn2 S14\n1.0\n5.119045 -8.866447 -0.000000\n5.119045 8.866447 -0.000000\n-0.000000 -0.000000 6.075723\nPr Cu Sn S\n6 2 2 14\ndirect\n0.779058 0.642686 0.261773 Pr\n0.863629 0.220943 0.261773 Pr\n0.136371 0.779058 0.761773 Pr\n0.357314 0.136371 0.261773 Pr\n0.642687 0.863630 0.761773 Pr\n0.220943 0.357314 0.761773 Pr\n0.000000 0.000000 0.715461 Cu\n0.000000 0.000000 0.215462 Cu\n0.666668 0.333333 0.835190 Sn\n0.333333 0.666668 0.335190 Sn\n0.087604 0.515562 0.505419 S\n0.155397 0.254800 0.229870 S\n0.333333 0.666668 0.944362 S\n0.900597 0.155397 0.729869 S\n0.745201 0.900598 0.229870 S\n0.254800 0.099403 0.729869 S\n0.572042 0.087604 0.005420 S\n0.844604 0.745201 0.729869 S\n0.666668 0.333333 0.444362 S\n0.484439 0.572042 0.505419 S\n0.427959 0.912397 0.505419 S\n0.099403 0.844604 0.229870 S\n0.912397 0.484439 0.005420 S\n0.515562 0.427959 0.005420 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Pr",
"Cu",
"Sn",
"S"
],
"chemical_system": "Cu-Pr-S-Sn",
"density": 4.994527053648275,
"density_atomic": 0.04351557342029543,
"volume": 551.5266860485981,
"volume_molar": 13.839047234504108,
"formula_full": "Pr6 Cu2 Sn2 S14",
"formula_reduced": "Pr3CuSnS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.7316909750000002,
"spacegroup": 173
}
]
}