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=94",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=92",
"results": [
{
"id": "jvasp-11045",
"created_at": "2022-09-04T14:37:19.228838Z",
"updated_at": "2022-09-04T14:37:19.228864Z",
"structure_string": "Sr2 Y1 Tl1 Co2 O7\n1.0\n3.772781 -0.000000 -0.000000\n-0.000000 3.772781 -0.000000\n-0.000000 0.000000 12.190734\nSr Y Tl Co O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.794484 Sr\n0.500000 0.500000 0.205516 Sr\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.638294 Co\n0.000000 0.000000 0.361706 Co\n0.500000 0.000000 0.618878 O\n0.000000 0.500000 0.618878 O\n0.500000 0.000000 0.381122 O\n0.000000 0.500000 0.381122 O\n0.000000 0.000000 0.805511 O\n0.000000 0.000000 0.194489 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Sr",
"Y",
"Tl",
"Co",
"O"
],
"chemical_system": "Co-O-Sr-Tl-Y",
"density": 6.683360618695522,
"density_atomic": 0.07491871238322374,
"volume": 173.5214018829165,
"volume_molar": 8.038233130857325,
"formula_full": "Sr2 Y1 Tl1 Co2 O7",
"formula_reduced": "Sr2YTlCo2O7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": 2.157068997692308,
"spacegroup": 123
},
{
"id": "jvasp-28994",
"created_at": "2022-09-04T14:37:50.023088Z",
"updated_at": "2022-09-04T14:37:50.023098Z",
"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n3.407577 0.000000 0.000000\n-1.703788 2.951049 0.000095\n0.000000 0.001280 39.898628\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.333306 0.666613 0.328028 Te\n0.666661 0.333319 0.423637 Te\n0.666644 0.333286 0.518057 Te\n0.333346 0.666694 0.233637 Te\n0.333315 0.666630 0.093658 Mo\n0.333319 0.666640 0.470827 W\n0.666664 0.333326 0.280790 W\n0.666709 0.333416 0.657582 W\n0.666665 0.333329 0.052611 Se\n0.666629 0.333257 0.134946 Se\n0.333369 0.666739 0.695175 S\n0.333377 0.666755 0.619801 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.711100453389065,
"density_atomic": 0.029908951311341414,
"volume": 401.21767811530134,
"volume_molar": 20.134911108422635,
"formula_full": "Te4 Mo1 W3 Se2 S2",
"formula_reduced": "Te4MoW3(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.039137808333333,
"spacegroup": 156
},
{
"id": "jvasp-29178",
"created_at": "2022-09-04T14:38:29.717687Z",
"updated_at": "2022-09-04T14:38:29.717709Z",
"structure_string": "Te4 Mo3 W1 Se2 S2\n1.0\n3.402158 0.000000 0.000000\n-1.701079 2.946236 0.000126\n0.000000 0.001942 37.310887\nTe Mo W Se S\n4 3 1 2 2\ndirect\n0.333290 0.666581 0.328788 Te\n0.666676 0.333351 0.424612 Te\n0.666473 0.332944 0.525312 Te\n0.333469 0.666939 0.228154 Te\n0.333425 0.666849 0.094632 Mo\n0.333247 0.666494 0.474954 Mo\n0.666706 0.333410 0.278451 Mo\n0.666621 0.333242 0.654848 W\n0.666769 0.333539 0.050503 Se\n0.666725 0.333447 0.138846 Se\n0.333387 0.666776 0.695265 S\n0.333217 0.666434 0.614384 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.346353577653646,
"density_atomic": 0.032086597213031635,
"volume": 373.9879277421891,
"volume_molar": 18.768399528368096,
"formula_full": "Te4 Mo3 W1 Se2 S2",
"formula_reduced": "Te4Mo3W(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.635949625,
"spacegroup": 156
},
{
"id": "jvasp-28990",
"created_at": "2022-09-04T14:37:40.763633Z",
"updated_at": "2022-09-04T14:37:40.763654Z",
"structure_string": "Te2 Mo1 W3 Se2 S4\n1.0\n3.320113 0.000000 0.000000\n-1.660057 2.875312 0.000027\n0.000000 0.000363 37.332247\nTe Mo W Se S\n2 1 3 2 4\ndirect\n0.666642 0.333285 0.042950 Te\n0.666643 0.333286 0.145195 Te\n0.333312 0.666626 0.093840 Mo\n0.333298 0.666598 0.469699 W\n0.666681 0.333364 0.281907 W\n0.666683 0.333368 0.657507 W\n0.666639 0.333279 0.424427 Se\n0.666644 0.333288 0.514832 Se\n0.333362 0.666728 0.323021 S\n0.333360 0.666724 0.698445 S\n0.333360 0.666724 0.240624 S\n0.333360 0.666721 0.616301 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.539244484656598,
"density_atomic": 0.03367125265184571,
"volume": 356.38709744712196,
"volume_molar": 17.885110548953374,
"formula_full": "Te2 Mo1 W3 Se2 S4",
"formula_reduced": "Te2MoW3(SeS2)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.219029013888889,
"spacegroup": 156
},
{
"id": "jvasp-122138",
"created_at": "2022-09-04T14:38:55.563725Z",
"updated_at": "2022-09-04T14:38:55.563754Z",
"structure_string": "Ba2 La1 Co1 Cu2 O7\n1.0\n3.941585 -0.000000 0.000000\n0.000000 3.944926 0.000000\n0.000000 -0.000000 11.817674\nBa La Co Cu O\n2 1 1 2 7\ndirect\n0.499999 0.500000 0.183315 Ba\n0.499999 0.500000 0.816685 Ba\n0.499999 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.353358 Cu\n0.000000 0.000000 0.646642 Cu\n0.499999 0.000000 0.365415 O\n0.499999 0.000000 0.634584 O\n0.000000 0.000000 0.150248 O\n0.000000 0.000000 0.849752 O\n-0.000000 0.500000 0.366970 O\n-0.000000 0.500000 0.633029 O\n-0.000000 0.500000 -0.000000 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Ba",
"La",
"Co",
"Cu",
"O"
],
"chemical_system": "Ba-Co-Cu-La-O",
"density": 6.43030172280424,
"density_atomic": 0.07074595106063493,
"volume": 183.75609918450263,
"volume_molar": 8.51234688305843,
"formula_full": "Ba2 La1 Co1 Cu2 O7",
"formula_reduced": "Ba2LaCoCu2O7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": null,
"spacegroup": 47
},
{
"id": "jvasp-122466",
"created_at": "2022-09-04T14:38:54.108663Z",
"updated_at": "2022-09-04T14:38:54.108700Z",
"structure_string": "Sr3 Ti2 Mn2 Bi1 O12\n1.0\n5.273271 0.001865 7.905640\n2.396093 4.697460 7.905640\n0.003043 0.001865 9.502975\nSr Ti Mn Bi O\n3 2 2 1 12\ndirect\n0.747846 0.747844 0.747848 Sr\n0.500000 0.499999 0.500001 Sr\n0.252154 0.252153 0.252155 Sr\n0.124474 0.124474 0.124475 Ti\n0.875525 0.875524 0.875528 Ti\n0.625242 0.625241 0.625243 Mn\n0.374758 0.374757 0.374759 Mn\n0.000000 0.000000 0.000000 Bi\n0.250217 0.752703 0.752705 O\n-0.000000 0.499999 0.500001 O\n-0.000000 -0.000001 0.500001 O\n0.247296 0.247295 0.749784 O\n0.752703 0.752703 0.250219 O\n0.500000 -0.000001 0.500001 O\n0.752704 0.250216 0.752705 O\n-0.000000 0.500000 0.000000 O\n0.749782 0.247295 0.247297 O\n0.247296 0.749782 0.247297 O\n0.500000 0.499999 0.000001 O\n0.500000 -0.000001 0.000000 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Ti",
"Mn",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-O-Sr-Ti",
"density": 6.138365734383402,
"density_atomic": 0.08503395891776291,
"volume": 235.2001512635931,
"volume_molar": 7.082042088413248,
"formula_full": "Sr3 Ti2 Mn2 Bi1 O12",
"formula_reduced": "Sr3Ti2Mn2BiO12",
"formula_anonymous": "AB2C2D3E12",
"energy_above_hull": 2.6621073189712643,
"spacegroup": 166
},
{
"id": "jvasp-122494",
"created_at": "2022-09-04T14:38:54.263029Z",
"updated_at": "2022-09-04T14:38:54.263055Z",
"structure_string": "Ba2 Ca1 Cu2 Mo1 O8\n1.0\n3.910138 -0.000000 0.000000\n0.000000 3.910138 0.000000\n-0.000000 -0.000000 12.176698\nBa Ca Cu Mo O\n2 1 2 1 8\ndirect\n0.500000 0.500000 0.790368 Ba\n0.500000 0.500000 0.209632 Ba\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.379030 Cu\n0.000000 0.000000 0.620970 Cu\n0.000000 0.000000 0.000000 Mo\n0.500000 0.000000 0.626913 O\n-0.000000 0.500000 0.626913 O\n0.500000 0.000000 0.373087 O\n-0.000000 0.500000 0.373087 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.000000 -0.000000 O\n0.000000 0.000000 0.154421 O\n0.000000 0.000000 0.845579 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Cu",
"Mo",
"O"
],
"chemical_system": "Ba-Ca-Cu-Mo-O",
"density": 5.938169208562227,
"density_atomic": 0.07519939218297642,
"volume": 186.1717175311067,
"volume_molar": 8.008230632166317,
"formula_full": "Ba2 Ca1 Cu2 Mo1 O8",
"formula_reduced": "Ba2CaCu2MoO8",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 1.9125390828571427,
"spacegroup": 123
},
{
"id": "jvasp-102413",
"created_at": "2022-09-04T14:36:46.090338Z",
"updated_at": "2022-09-04T14:36:46.090357Z",
"structure_string": "K1 Rb2 Ir1 F6\n1.0\n5.499080 -0.000000 3.174895\n1.833027 5.184582 3.174895\n-0.000000 -0.000000 6.349791\nK Rb Ir F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500001 K\n0.750001 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ir\n0.773776 0.226225 0.226225 F\n0.226225 0.226225 0.773776 F\n0.226225 0.773775 0.773776 F\n0.226225 0.773775 0.226225 F\n0.773776 0.226225 0.773776 F\n0.773776 0.773775 0.226226 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Ir",
"F"
],
"chemical_system": "F-Ir-K-Rb",
"density": 4.735203444550971,
"density_atomic": 0.055237852181936206,
"volume": 181.03527934183842,
"volume_molar": 10.90219934722471,
"formula_full": "K1 Rb2 Ir1 F6",
"formula_reduced": "KRb2IrF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-101820",
"created_at": "2022-09-04T14:36:45.835402Z",
"updated_at": "2022-09-04T14:36:45.835424Z",
"structure_string": "H4 C6 S2 O4\n1.0\n4.695187 -0.018421 1.222502\n0.708646 5.986678 1.607195\n-0.076656 -0.049045 6.382055\nH C S O\n4 6 2 4\ndirect\n0.609174 0.417149 0.654112 H\n0.533826 0.325544 0.944046 H\n0.609708 0.916157 0.153087 H\n0.533926 0.826190 0.443205 H\n0.079994 0.264833 0.783174 C\n0.597357 0.267716 0.788002 C\n0.376072 0.131241 0.773298 C\n0.080055 0.764325 0.283329 C\n0.597515 0.767352 0.287717 C\n0.376039 0.630644 0.273780 C\n0.026132 0.525718 0.804509 S\n0.026346 0.025400 0.303992 S\n0.421868 0.935571 0.761450 O\n0.421665 0.434778 0.262619 O\n0.879394 0.642070 0.276908 O\n0.879416 0.142659 0.776472 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.880197481370098,
"density_atomic": 0.08870916866454491,
"volume": 180.36467076480275,
"volume_molar": 6.788633971729369,
"formula_full": "H4 C6 S2 O4",
"formula_reduced": "H2C3SO2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 4.3293096250000005,
"spacegroup": 1
},
{
"id": "jvasp-105002",
"created_at": "2022-09-04T14:36:46.099280Z",
"updated_at": "2022-09-04T14:36:46.099306Z",
"structure_string": "K2 Tl1 Ga1 Br6\n1.0\n6.873948 -0.000000 3.968676\n2.291316 6.480820 3.968676\n-0.000000 -0.000000 7.937351\nK Tl Ga Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.771855 0.228145 0.228146 Br\n0.228146 0.228145 0.771855 Br\n0.228146 0.771855 0.771855 Br\n0.228146 0.771855 0.228146 Br\n0.771855 0.228145 0.771855 Br\n0.771855 0.771855 0.228146 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"Ga",
"Br"
],
"chemical_system": "Br-Ga-K-Tl",
"density": 3.905872456489797,
"density_atomic": 0.028280573505218044,
"volume": 353.59961841491304,
"volume_molar": 21.294266747768944,
"formula_full": "K2 Tl1 Ga1 Br6",
"formula_reduced": "K2TlGaBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100804",
"created_at": "2022-09-04T14:36:41.398638Z",
"updated_at": "2022-09-04T14:36:41.398656Z",
"structure_string": "Sr1 La1 Fe2 O6\n1.0\n4.716652 0.011108 2.680308\n1.563833 4.450278 2.679661\n0.014482 0.011094 5.425692\nSr La Fe O\n1 1 2 6\ndirect\n0.249999 0.250000 0.250001 Sr\n0.749998 0.750001 0.750000 La\n0.500106 0.500110 0.500109 Fe\n-0.000111 -0.000107 -0.000108 Fe\n0.727064 0.772935 0.250001 O\n0.773028 0.249874 0.726981 O\n0.250125 0.726970 0.773020 O\n0.218565 0.750100 0.281426 O\n0.749900 0.281435 0.218574 O\n0.281317 0.218682 0.750000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"La",
"Fe",
"O"
],
"chemical_system": "Fe-La-O-Sr",
"density": 6.351125956170165,
"density_atomic": 0.08808458991635536,
"volume": 113.52723568896609,
"volume_molar": 6.836769934126494,
"formula_full": "Sr1 La1 Fe2 O6",
"formula_reduced": "SrLa(FeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.4655793310000007,
"spacegroup": 155
},
{
"id": "jvasp-101234",
"created_at": "2022-09-04T14:36:41.333347Z",
"updated_at": "2022-09-04T14:36:41.333364Z",
"structure_string": "Ba2 I1 Br1 F2\n1.0\n4.587381 -0.000000 0.000000\n0.000000 4.587381 0.000000\n-0.000000 -0.000000 7.890404\nBa I Br F\n2 1 1 2\ndirect\n0.500000 0.500000 0.828437 Ba\n0.000000 0.000000 0.187464 Ba\n0.000000 0.000000 0.640605 I\n0.500000 0.500000 0.336153 Br\n0.500000 0.000000 0.003670 F\n-0.000000 0.500000 0.003670 F\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ba",
"I",
"Br",
"F"
],
"chemical_system": "Ba-Br-F-I",
"density": 5.194834790773366,
"density_atomic": 0.03613452807611863,
"volume": 166.0461702270137,
"volume_molar": 16.66589016276663,
"formula_full": "Ba2 I1 Br1 F2",
"formula_reduced": "Ba2IBrF2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.0,
"spacegroup": 99
}
]
}