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=828",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=826",
"results": [
{
"id": "jvasp-9279",
"created_at": "2022-09-04T14:38:35.279015Z",
"updated_at": "2022-09-04T14:38:35.279029Z",
"structure_string": "Ca1 Bi4 O8\n1.0\n3.489496 0.004615 0.003432\n1.735092 6.872268 0.604221\n1.732608 2.429330 9.080281\nCa Bi O\n1 4 8\ndirect\n0.675265 0.872184 0.789258 Ca\n0.390675 0.754304 0.476344 Bi\n0.903920 0.350279 0.853857 Bi\n0.135194 0.611545 0.130045 Bi\n0.668046 0.227351 0.448549 Bi\n0.062446 0.517237 0.369855 O\n0.558407 0.826189 0.068969 O\n0.511865 0.231460 0.756788 O\n0.860451 0.628628 0.662460 O\n0.839506 -0.030378 0.363348 O\n0.242508 0.624762 0.902193 O\n0.207507 0.002366 0.594606 O\n0.721808 0.393441 0.174934 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-O",
"density": 7.844203089422645,
"density_atomic": 0.061166216918764144,
"volume": 212.53562268311467,
"volume_molar": 9.845534125476657,
"formula_full": "Ca1 Bi4 O8",
"formula_reduced": "Ca(BiO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.006655816923077,
"spacegroup": 8
},
{
"id": "jvasp-20861",
"created_at": "2022-09-04T14:38:35.309397Z",
"updated_at": "2022-09-04T14:38:35.309424Z",
"structure_string": "Ca2 Pd6 O8\n1.0\n5.799999 0.000000 -0.000000\n-0.000000 5.799999 -0.000000\n0.000000 -0.000000 5.799999\nCa Pd O\n2 6 8\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.250000 Pd\n0.000000 0.500000 0.750000 Pd\n0.500000 0.750000 0.000000 Pd\n0.500000 0.250000 0.000000 Pd\n0.750000 0.000000 0.500000 Pd\n0.250000 0.000000 0.500000 Pd\n0.250000 0.250000 0.250000 O\n0.750000 0.250000 0.750000 O\n0.750000 0.750000 0.250000 O\n0.250000 0.750000 0.750000 O\n0.750000 0.750000 0.750000 O\n0.250000 0.750000 0.250000 O\n0.250000 0.250000 0.750000 O\n0.750000 0.250000 0.250000 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Pd",
"O"
],
"chemical_system": "Ca-O-Pd",
"density": 7.205765567319475,
"density_atomic": 0.08200422462926384,
"volume": 195.11189908001737,
"volume_molar": 7.3436957513173695,
"formula_full": "Ca2 Pd6 O8",
"formula_reduced": "CaPd3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.8961464400000003,
"spacegroup": 223
},
{
"id": "jvasp-54577",
"created_at": "2022-09-04T14:38:35.322741Z",
"updated_at": "2022-09-04T14:38:35.322749Z",
"structure_string": "Ti1 In1 Au2\n1.0\n4.073555 0.000344 2.351647\n1.357936 3.840821 2.352064\n-0.000204 0.000364 4.703650\nTi In Au\n1 1 2\ndirect\n0.499999 0.500000 0.499991 Ti\n0.000005 0.999991 0.999997 In\n0.249987 0.249999 0.249994 Au\n0.750013 0.750007 0.750018 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"In",
"Au"
],
"chemical_system": "Au-In-Ti",
"density": 12.559999360391302,
"density_atomic": 0.05435545768716958,
"volume": 73.5896664327819,
"volume_molar": 11.079183243491492,
"formula_full": "Ti1 In1 Au2",
"formula_reduced": "TiInAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9724983608333336,
"spacegroup": 225
},
{
"id": "jvasp-34036",
"created_at": "2022-09-04T14:38:35.327718Z",
"updated_at": "2022-09-04T14:38:35.327748Z",
"structure_string": "Te8 Mo6 S4\n1.0\n1.892630 2.877221 -0.000000\n0.000005 -0.000001 -14.038132\n-6.490083 6.330480 0.000003\nTe Mo S\n8 6 4\ndirect\n0.210670 0.618717 0.578652 Te\n0.780448 0.119684 0.439080 Te\n0.886219 0.619683 0.227586 Te\n0.886219 0.880317 0.227587 Te\n0.780449 0.380316 0.439080 Te\n0.456000 0.118717 0.088012 Te\n0.456001 0.381283 0.088012 Te\n0.210670 0.881283 0.578653 Te\n0.445880 0.750000 0.108269 Mo\n0.220788 0.250000 0.558396 Mo\n0.097853 0.750000 0.804289 Mo\n0.896485 0.250000 0.207026 Mo\n0.770185 0.750000 0.459639 Mo\n0.568816 0.250000 0.862375 Mo\n0.116545 0.140849 0.766918 S\n0.550120 0.859152 0.899751 S\n0.550121 0.640848 0.899751 S\n0.116546 0.359151 0.766918 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.655134593990552,
"density_atomic": 0.0418279603224283,
"volume": 430.3341559389483,
"volume_molar": 14.397404782778535,
"formula_full": "Te8 Mo6 S4",
"formula_reduced": "Te4Mo3S2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.288759862962963,
"spacegroup": 63
},
{
"id": "jvasp-31729",
"created_at": "2022-09-04T14:38:35.368376Z",
"updated_at": "2022-09-04T14:38:35.368412Z",
"structure_string": "Nb2 W2 Se8\n1.0\n1.529395 -3.045922 0.000000\n-0.000002 -0.000000 13.034038\n-5.281877 -2.652084 -0.000000\nNb W Se\n2 2 8\ndirect\n0.999946 0.250000 0.325457 Nb\n0.000052 0.750000 0.674541 Nb\n0.500051 0.750000 0.158378 W\n0.499946 0.250000 0.841625 W\n0.000052 0.623752 0.328334 Se\n0.499947 0.118592 0.162729 Se\n0.499947 0.381409 0.162729 Se\n0.000052 0.876249 0.328334 Se\n0.500051 0.618591 0.837271 Se\n0.999946 0.123752 0.671668 Se\n0.999946 0.376250 0.671667 Se\n0.500051 0.881408 0.837271 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"W",
"Se"
],
"chemical_system": "Nb-Se-W",
"density": 7.495493910202454,
"density_atomic": 0.04570363504665196,
"volume": 262.56117238270014,
"volume_molar": 13.176502818327041,
"formula_full": "Nb2 W2 Se8",
"formula_reduced": "NbWSe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.402795477777778,
"spacegroup": 51
},
{
"id": "jvasp-33907",
"created_at": "2022-09-04T14:38:35.255250Z",
"updated_at": "2022-09-04T14:38:35.255268Z",
"structure_string": "Te7 Mo6 S5\n1.0\n-1.870696 -2.852346 0.000031\n6.398194 -6.236190 -0.089970\n-1.632836 3.110797 14.084627\nTe Mo S\n7 6 5\ndirect\n0.472203 0.164438 0.108849 Te\n0.106459 0.401408 0.614332 Te\n0.520269 0.843640 0.884193 Te\n0.225756 0.928854 0.380342 Te\n0.153502 0.809539 0.116528 Te\n0.431759 0.760927 0.624460 Te\n0.905856 0.578672 0.390352 Te\n0.306212 0.642725 0.255132 Mo\n0.703524 0.345871 0.752923 Mo\n0.628693 0.987163 0.244550 Mo\n0.037729 0.676243 0.751691 Mo\n0.966567 0.315431 0.248567 Mo\n0.360552 0.036738 0.757857 Mo\n0.823892 0.501741 0.149489 S\n0.554486 0.241269 0.350235 S\n0.843434 0.179309 0.866191 S\n0.180821 0.494641 0.856288 S\n0.778307 0.091380 0.648023 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.434864034715756,
"density_atomic": 0.04281517378745602,
"volume": 420.41170005185484,
"volume_molar": 14.065435749239828,
"formula_full": "Te7 Mo6 S5",
"formula_reduced": "Te7Mo6S5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 3.5881688759259256,
"spacegroup": 8
},
{
"id": "jvasp-34033",
"created_at": "2022-09-04T14:38:35.277057Z",
"updated_at": "2022-09-04T14:38:35.277092Z",
"structure_string": "Te8 Mo6 S4\n1.0\n1.890531 2.874294 0.000084\n0.001060 -0.000215 -14.279798\n-6.433810 6.290889 0.001173\nTe Mo S\n8 6 4\ndirect\n0.205401 0.889668 0.589116 Te\n0.783045 0.113261 0.433966 Te\n0.871469 0.618700 0.256994 Te\n0.883120 0.876545 0.233681 Te\n0.461904 0.118701 0.076260 Te\n0.550332 0.613255 0.899281 Te\n0.450170 0.376551 0.099724 Te\n0.127882 0.389664 0.744309 Te\n0.437015 0.744389 0.125908 Mo\n0.232883 0.249660 0.534292 Mo\n0.100449 0.749653 0.799041 Mo\n0.896317 0.244393 0.207420 Mo\n0.762405 0.756025 0.475117 Mo\n0.570925 0.256024 0.858223 Mo\n0.121738 0.153044 0.756610 S\n0.544398 0.848712 0.911134 S\n0.788898 0.348720 0.422262 S\n0.211632 0.653040 0.576657 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.600398858920448,
"density_atomic": 0.04148394261363565,
"volume": 433.902827598731,
"volume_molar": 14.516799466453172,
"formula_full": "Te8 Mo6 S4",
"formula_reduced": "Te4Mo3S2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.2885176407407406,
"spacegroup": 36
},
{
"id": "jvasp-31902",
"created_at": "2022-09-04T14:38:35.321128Z",
"updated_at": "2022-09-04T14:38:35.321153Z",
"structure_string": "Se8 N4 Cl12\n1.0\n7.672351 0.000000 -0.420417\n0.000000 8.744914 0.000000\n0.003891 0.000000 8.965000\nSe N Cl\n8 4 12\ndirect\n0.402385 0.531678 0.720181 Se\n0.097615 0.031678 0.279819 Se\n0.542477 0.115341 0.678234 Se\n0.957523 0.615340 0.321765 Se\n0.042477 0.384659 0.678234 Se\n0.597614 0.468321 0.279819 Se\n0.457523 0.884659 0.321766 Se\n0.902385 0.968321 0.720181 Se\n0.307281 0.000682 0.219140 N\n0.692718 -0.000682 0.780859 N\n0.192718 0.500682 0.780859 N\n0.807281 0.499318 0.219140 N\n0.793523 0.161930 0.484811 Cl\n0.206476 0.838070 0.515188 Cl\n0.171675 0.589315 0.160426 Cl\n0.510033 0.309530 0.097943 Cl\n0.328324 0.089316 0.839574 Cl\n0.828324 0.410684 0.839574 Cl\n0.010033 0.190470 0.097944 Cl\n0.671675 0.910684 0.160425 Cl\n0.706476 0.661929 0.515188 Cl\n0.989966 0.809529 0.902056 Cl\n0.489966 0.690470 0.902056 Cl\n0.293524 0.338070 0.484812 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Se",
"N",
"Cl"
],
"chemical_system": "Cl-N-Se",
"density": 3.072948986296705,
"density_atomic": 0.03989942282375253,
"volume": 601.5124606191686,
"volume_molar": 15.093302944760792,
"formula_full": "Se8 N4 Cl12",
"formula_reduced": "Se2NCl3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.5295186976388888,
"spacegroup": 14
},
{
"id": "jvasp-37618",
"created_at": "2022-09-04T14:38:35.486535Z",
"updated_at": "2022-09-04T14:38:35.486564Z",
"structure_string": "Zn7 Sb8 Ru9\n1.0\n-0.000000 6.014689 6.014689\n6.014689 -0.000000 6.014689\n6.014689 6.014689 -0.000000\nZn Sb Ru\n7 8 9\ndirect\n0.500000 0.000000 -0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.500000 -0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 Sb\n0.250000 0.250000 0.250000 Sb\n0.725637 0.725637 0.274362 Sb\n0.725637 0.274362 0.725637 Sb\n0.274362 0.725637 0.274362 Sb\n0.274362 0.725637 0.725637 Sb\n0.725637 0.274362 0.274362 Sb\n0.274362 0.274362 0.725637 Sb\n0.370317 0.876561 0.876561 Ru\n0.123440 0.123440 0.123440 Ru\n0.123440 0.123440 0.629682 Ru\n0.629682 0.123440 0.123440 Ru\n0.123440 0.629682 0.123440 Ru\n0.876561 0.876561 0.876561 Ru\n0.876561 0.876561 0.370317 Ru\n0.876561 0.370317 0.876561 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Zn",
"Sb",
"Ru"
],
"chemical_system": "Ru-Sb-Zn",
"density": 8.934850179890478,
"density_atomic": 0.05514951749587781,
"volume": 435.1805979407507,
"volume_molar": 10.919661736750696,
"formula_full": "Zn7 Sb8 Ru9",
"formula_reduced": "Zn7Sb8Ru9",
"formula_anonymous": "A7B8C9",
"energy_above_hull": 2.2449923375,
"spacegroup": 225
},
{
"id": "jvasp-117521",
"created_at": "2022-09-04T14:38:35.502672Z",
"updated_at": "2022-09-04T14:38:35.502700Z",
"structure_string": "Ba1 Be1 Ir1\n1.0\n5.006454 -0.000000 0.000000\n-2.503227 4.335717 -0.000000\n0.000000 0.000000 3.072090\nBa Be Ir\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.000000 Be\n0.666666 0.333334 0.000000 Ir\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Ir"
],
"chemical_system": "Ba-Be-Ir",
"density": 8.430527585023968,
"density_atomic": 0.044987945736836815,
"volume": 66.68452961930987,
"volume_molar": 13.386120796062443,
"formula_full": "Ba1 Be1 Ir1",
"formula_reduced": "BaBeIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.13500439,
"spacegroup": 187
},
{
"id": "jvasp-26915",
"created_at": "2022-09-04T14:38:35.624349Z",
"updated_at": "2022-09-04T14:38:35.624364Z",
"structure_string": "Tl2 In10 S12\n1.0\n0.000000 8.897689 -0.007781\n3.970540 0.000000 0.000000\n0.000000 -1.519241 -17.608886\nTl In S\n2 10 12\ndirect\n0.379542 0.750000 0.783626 Tl\n0.620458 0.250000 0.216374 Tl\n0.303456 0.750000 0.994910 In\n0.889648 0.250000 0.886918 In\n0.110353 0.750000 0.113082 In\n0.965913 0.250000 0.382882 In\n0.696544 0.250000 0.005090 In\n0.232191 0.250000 0.313291 In\n0.767810 0.750000 0.686709 In\n0.343125 0.250000 0.544953 In\n0.656875 0.750000 0.455047 In\n0.034088 0.750000 0.617119 In\n0.466578 0.250000 0.412128 S\n0.533423 0.750000 0.587873 S\n0.406757 0.250000 0.924705 S\n0.593243 0.750000 0.075295 S\n0.692597 0.250000 0.766861 S\n0.836889 0.250000 0.506217 S\n0.163111 0.750000 0.493783 S\n0.202115 0.250000 0.669374 S\n0.797885 0.750000 0.330626 S\n0.056154 0.750000 0.866890 S\n0.307404 0.750000 0.233139 S\n0.943846 0.250000 0.133110 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tl",
"In",
"S"
],
"chemical_system": "In-S-Tl",
"density": 5.182576632751412,
"density_atomic": 0.03857623126885287,
"volume": 622.1447562550783,
"volume_molar": 15.611013730266551,
"formula_full": "Tl2 In10 S12",
"formula_reduced": "TlIn5S6",
"formula_anonymous": "AB5C6",
"energy_above_hull": 0.7915785375,
"spacegroup": 11
},
{
"id": "jvasp-56870",
"created_at": "2022-09-04T14:38:35.746483Z",
"updated_at": "2022-09-04T14:38:35.746514Z",
"structure_string": "Ti1 Ga1 Rh1\n1.0\n3.606699 -0.000000 2.082329\n1.202233 3.400428 2.082329\n0.000000 0.000000 4.164657\nTi Ga Rh\n1 1 1\ndirect\n0.500000 0.500000 0.500001 Ti\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Ga",
"Rh"
],
"chemical_system": "Ga-Rh-Ti",
"density": 7.168463960099667,
"density_atomic": 0.05873521094393175,
"volume": 51.07668725091973,
"volume_molar": 10.253033339317868,
"formula_full": "Ti1 Ga1 Rh1",
"formula_reduced": "TiGaRh",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8008012194444447,
"spacegroup": 216
}
]
}