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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=917",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=915",
"results": [
{
"id": "jvasp-29375",
"created_at": "2022-09-04T14:37:04.712467Z",
"updated_at": "2022-09-04T14:37:04.712492Z",
"structure_string": "Cd2 Bi2 Cl2 O4\n1.0\n4.220466 0.000000 0.000000\n0.000000 6.027930 -1.158246\n0.000000 0.072357 7.625789\nCd Bi Cl O\n2 2 2 4\ndirect\n0.750001 0.656553 0.901847 Cd\n0.250000 0.343447 0.098153 Cd\n0.250000 0.306215 0.595767 Bi\n0.750001 0.693785 0.404232 Bi\n0.250000 0.965596 0.193700 Cl\n0.750001 0.034404 0.806300 Cl\n0.250000 0.512714 0.855407 O\n0.750001 0.487287 0.144593 O\n0.750001 0.451521 0.591445 O\n0.250000 0.548480 0.408555 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"Bi",
"Cl",
"O"
],
"chemical_system": "Bi-Cd-Cl-O",
"density": 6.644298525103141,
"density_atomic": 0.05145120318866206,
"volume": 194.3589144714818,
"volume_molar": 11.704567409080646,
"formula_full": "Cd2 Bi2 Cl2 O4",
"formula_reduced": "CdBiClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.5742130235000003,
"spacegroup": 11
},
{
"id": "jvasp-26375",
"created_at": "2022-09-04T14:37:46.574462Z",
"updated_at": "2022-09-04T14:37:46.574483Z",
"structure_string": "Cd2 Bi2 Cl2 O4\n1.0\n0.000000 6.137731 0.125695\n4.220433 0.000000 0.000000\n0.000000 -1.213145 -7.528638\nCd Bi Cl O\n2 2 2 4\ndirect\n0.343441 0.750000 0.098138 Cd\n0.656559 0.250000 0.901862 Cd\n0.693754 0.250000 0.404216 Bi\n0.306247 0.750000 0.595783 Bi\n0.034380 0.250000 0.806300 Cl\n0.965621 0.750000 0.193700 Cl\n0.487259 0.250000 0.144601 O\n0.512742 0.750000 0.855398 O\n0.548443 0.750000 0.408520 O\n0.451558 0.250000 0.591479 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"Bi",
"Cl",
"O"
],
"chemical_system": "Bi-Cd-Cl-O",
"density": 6.64366678875613,
"density_atomic": 0.05144631123580519,
"volume": 194.37739577021958,
"volume_molar": 11.705680378904908,
"formula_full": "Cd2 Bi2 Cl2 O4",
"formula_reduced": "CdBiClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.5742130235000003,
"spacegroup": 11
},
{
"id": "jvasp-50167",
"created_at": "2022-09-04T14:37:10.938201Z",
"updated_at": "2022-09-04T14:37:10.938219Z",
"structure_string": "Cd2 Bi2 O6\n1.0\n5.893724 0.000045 0.000082\n2.946881 5.104144 -0.000003\n2.946692 1.701558 4.967907\nCd Bi O\n2 2 6\ndirect\n0.363683 0.363670 0.908972 Cd\n0.632378 0.632383 0.102851 Cd\n0.138350 0.138350 0.584952 Bi\n0.851130 0.851128 0.446606 Bi\n0.043366 0.484709 0.735442 O\n0.484703 0.736487 0.735456 O\n0.736485 0.043359 0.735447 O\n0.218553 0.965619 0.250094 O\n0.565741 0.218551 0.250088 O\n0.965609 0.565737 0.250096 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cd",
"Bi",
"O"
],
"chemical_system": "Bi-Cd-O",
"density": 8.208840238989978,
"density_atomic": 0.06691416246238835,
"volume": 149.44519414138793,
"volume_molar": 8.999799950249654,
"formula_full": "Cd2 Bi2 O6",
"formula_reduced": "CdBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.09574491,
"spacegroup": 146
},
{
"id": "jvasp-29499",
"created_at": "2022-09-04T14:37:53.446089Z",
"updated_at": "2022-09-04T14:37:53.446106Z",
"structure_string": "Cd2 Bi2 S4 Br2\n1.0\n4.058357 -0.000000 0.000000\n-2.029178 6.541732 -0.148550\n0.000000 -0.041374 9.562708\nCd Bi S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.279031 0.558062 0.698607 Bi\n0.720970 0.441939 0.301394 Bi\n0.355630 0.711259 0.444774 S\n0.918481 0.836962 0.745438 S\n0.644371 0.288742 0.555227 S\n0.081519 0.163038 0.254562 S\n0.359340 0.718679 0.071206 Br\n0.640661 0.281321 0.928794 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"Bi",
"S",
"Br"
],
"chemical_system": "Bi-Br-Cd-S",
"density": 6.089027762142555,
"density_atomic": 0.03939297499431948,
"volume": 253.8523683840079,
"volume_molar": 15.287346946678692,
"formula_full": "Cd2 Bi2 S4 Br2",
"formula_reduced": "CdBiS2Br",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.4487036310000002,
"spacegroup": 12
},
{
"id": "jvasp-57459",
"created_at": "2022-09-04T14:38:35.722855Z",
"updated_at": "2022-09-04T14:38:35.722886Z",
"structure_string": "Cd4 Bi4 S8 Cl4\n1.0\n4.015101 0.000000 0.000000\n0.000000 9.493691 0.000000\n0.000000 0.000000 12.703806\nCd Bi S Cl\n4 4 8 4\ndirect\n0.750000 0.496537 0.738300 Cd\n0.250000 0.503462 0.261700 Cd\n0.750000 0.996537 0.761700 Cd\n0.250000 0.003463 0.238300 Cd\n0.250000 0.300467 0.976289 Bi\n0.250000 0.800467 0.523712 Bi\n0.750000 0.199533 0.476289 Bi\n0.750000 0.699533 0.023712 Bi\n0.250000 0.748080 0.167928 S\n0.250000 0.553929 0.889103 S\n0.750000 0.446070 0.110897 S\n0.750000 0.751920 0.667928 S\n0.250000 0.248080 0.332073 S\n0.750000 0.946070 0.389103 S\n0.750000 0.251920 0.832073 S\n0.250000 0.053930 0.610897 S\n0.250000 0.427548 0.604142 Cl\n0.750000 0.572452 0.395858 Cl\n0.750000 0.072452 0.104142 Cl\n0.250000 0.927548 0.895859 Cl\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cd",
"Bi",
"S",
"Cl"
],
"chemical_system": "Bi-Cd-Cl-S",
"density": 5.774300161084428,
"density_atomic": 0.041301381239047,
"volume": 484.24530608898067,
"volume_molar": 14.580966978185634,
"formula_full": "Cd4 Bi4 S8 Cl4",
"formula_reduced": "CdBiS2Cl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.4730556235000001,
"spacegroup": 62
},
{
"id": "jvasp-56546",
"created_at": "2022-09-04T14:37:40.216001Z",
"updated_at": "2022-09-04T14:37:40.216014Z",
"structure_string": "Cd4 Bi4 Se8 Br4\n1.0\n4.173554 0.000000 0.000000\n0.000000 10.023037 0.000000\n0.000000 0.000000 13.294841\nCd Bi Se Br\n4 4 8 4\ndirect\n0.749999 0.506003 0.736708 Cd\n0.749999 0.006003 0.763292 Cd\n0.250000 0.493997 0.263292 Cd\n0.250000 0.993997 0.236708 Cd\n0.749999 0.306101 0.025963 Bi\n0.250000 0.193900 0.525963 Bi\n0.749999 0.806101 0.474037 Bi\n0.250000 0.693900 0.974036 Bi\n0.749999 0.556561 0.113354 Se\n0.250000 0.943439 0.613354 Se\n0.250000 0.443439 0.886646 Se\n0.749999 0.748978 0.830652 Se\n0.250000 0.251022 0.169348 Se\n0.749999 0.248978 0.669348 Se\n0.250000 0.751023 0.330652 Se\n0.749999 0.056561 0.386646 Se\n0.749999 0.925169 0.103042 Br\n0.250000 0.574832 0.603042 Br\n0.749999 0.425169 0.396958 Br\n0.250000 0.074832 0.896958 Br\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cd",
"Bi",
"Se",
"Br"
],
"chemical_system": "Bi-Br-Cd-Se",
"density": 6.678819295657802,
"density_atomic": 0.035961804631055215,
"volume": 556.145616305606,
"volume_molar": 16.745935922246552,
"formula_full": "Cd4 Bi4 Se8 Br4",
"formula_reduced": "CdBiSe2Br",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.2455809776666668,
"spacegroup": 62
},
{
"id": "jvasp-54835",
"created_at": "2022-09-04T14:37:41.361933Z",
"updated_at": "2022-09-04T14:37:41.361952Z",
"structure_string": "Cd2 Bi2 Se4 I2\n1.0\n4.245405 -0.000000 0.000000\n-2.122702 6.895957 -0.138236\n0.000000 -0.050097 10.211763\nCd Bi Se I\n2 2 4 2\ndirect\n-0.000000 -0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.282865 0.565731 0.688425 Bi\n0.717134 0.434269 0.311574 Bi\n0.357211 0.714422 0.440223 Se\n0.642788 0.285578 0.559776 Se\n0.919866 0.839733 0.741681 Se\n0.080133 0.160267 0.258318 Se\n0.640328 0.280656 0.925123 I\n0.359671 0.719344 0.074876 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"Bi",
"Se",
"I"
],
"chemical_system": "Bi-Cd-I-Se",
"density": 6.7349551383276705,
"density_atomic": 0.03345247945200673,
"volume": 298.93150414595425,
"volume_molar": 18.002075955654604,
"formula_full": "Cd2 Bi2 Se4 I2",
"formula_reduced": "CdBiSe2I",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.2145214116666668,
"spacegroup": 12
},
{
"id": "jvasp-98674",
"created_at": "2022-09-04T14:36:20.447020Z",
"updated_at": "2022-09-04T14:36:20.447044Z",
"structure_string": "Cd8 B16 O32\n1.0\n8.936775 -0.000000 0.000000\n-4.468387 7.739474 -0.000000\n0.000000 0.000000 7.223831\nCd B O\n8 16 32\ndirect\n0.478745 0.954975 0.540723 Cd\n0.954974 0.476229 0.040723 Cd\n0.045025 0.523770 0.540723 Cd\n0.476229 0.521254 0.540723 Cd\n0.521254 0.045025 0.040723 Cd\n0.000000 0.000000 0.564019 Cd\n0.000000 0.000000 0.064019 Cd\n0.523770 0.478745 0.040723 Cd\n0.846552 0.173561 0.731592 B\n0.153447 0.826438 0.231592 B\n0.173561 0.327009 0.231592 B\n0.327009 0.153447 0.731592 B\n0.847153 0.176108 0.345444 B\n0.666666 0.333333 0.366866 B\n0.333333 0.666666 0.252641 B\n0.666666 0.333333 0.752641 B\n0.671045 0.847153 0.845444 B\n0.176108 0.328954 0.845444 B\n0.823891 0.671045 0.345444 B\n0.328954 0.152846 0.345444 B\n0.152846 0.823891 0.845444 B\n0.672990 0.846552 0.231592 B\n0.333333 0.666666 0.866866 B\n0.826438 0.672991 0.731592 B\n0.813648 0.996108 0.328839 O\n0.492255 0.208540 0.830726 O\n0.283715 0.492255 0.330726 O\n0.208539 0.716284 0.330726 O\n0.791460 0.283715 0.830726 O\n0.993322 0.291155 0.220000 O\n0.507744 0.791460 0.330726 O\n0.291155 0.297832 0.720000 O\n0.297832 0.006677 0.220000 O\n0.702166 0.993322 0.720000 O\n0.716284 0.507744 0.830726 O\n0.817539 0.813648 0.828839 O\n0.003891 0.817539 0.328839 O\n0.182460 0.186351 0.328839 O\n0.006677 0.708844 0.720000 O\n0.708844 0.702167 0.220000 O\n0.307010 0.810291 0.795327 O\n0.496718 0.307010 0.295327 O\n0.810291 0.503281 0.295327 O\n0.189708 0.496718 0.795327 O\n0.503281 0.692989 0.795327 O\n0.996108 0.182460 0.828839 O\n0.692989 0.189708 0.295327 O\n0.333333 0.666666 0.060854 O\n0.329895 0.092242 0.537887 O\n0.092242 0.762347 0.037887 O\n0.907757 0.237653 0.537887 O\n0.762346 0.670105 0.537887 O\n0.670104 0.907758 0.037887 O\n0.186351 0.003891 0.828839 O\n0.666666 0.333333 0.560854 O\n0.237653 0.329895 0.037887 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Cd",
"B",
"O"
],
"chemical_system": "B-Cd-O",
"density": 5.265159609765353,
"density_atomic": 0.11208001497436128,
"volume": 499.6430453083916,
"volume_molar": 5.373072765361058,
"formula_full": "Cd8 B16 O32",
"formula_reduced": "Cd(BO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.404638416666667,
"spacegroup": 173
},
{
"id": "jvasp-3906",
"created_at": "2022-09-04T14:36:00.947163Z",
"updated_at": "2022-09-04T14:36:00.947186Z",
"structure_string": "Cd2 Br4\n1.0\n2.011894 -3.484702 0.000000\n2.011894 3.484702 0.000000\n0.000000 0.000000 12.547449\nCd Br\n2 4\ndirect\n0.666666 0.333332 0.124967 Cd\n0.333332 0.666666 0.624967 Cd\n0.000000 0.000000 0.250846 Br\n0.000000 0.000000 0.750846 Br\n0.333332 0.666666 -0.000813 Br\n0.666666 0.333332 0.499187 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cd",
"Br"
],
"chemical_system": "Br-Cd",
"density": 5.138559060793724,
"density_atomic": 0.03410319556500521,
"volume": 175.9365918822242,
"volume_molar": 17.658582019157127,
"formula_full": "Cd2 Br4",
"formula_reduced": "CdBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-22646",
"created_at": "2022-09-04T14:38:07.941510Z",
"updated_at": "2022-09-04T14:38:07.941539Z",
"structure_string": "Cd1 Br2\n1.0\n3.828856 -0.007179 5.501979\n1.720762 3.420406 5.501979\n-0.011673 -0.007179 6.703116\nCd Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750337 0.750337 0.750336 Br\n0.249664 0.249664 0.249663 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"Br"
],
"chemical_system": "Br-Cd",
"density": 5.126696865816678,
"density_atomic": 0.03402446945709318,
"volume": 88.17183773528558,
"volume_molar": 17.699440596992314,
"formula_full": "Cd1 Br2",
"formula_reduced": "CdBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001999999999999,
"spacegroup": 166
},
{
"id": "jvasp-22647",
"created_at": "2022-09-04T14:38:14.275548Z",
"updated_at": "2022-09-04T14:38:14.275575Z",
"structure_string": "Cd2 Br4\n1.0\n3.953345 -0.012291 12.132857\n1.916616 3.457699 12.132857\n-0.020940 -0.012291 12.760671\nCd Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500001 0.499999 Cd\n0.208620 0.208620 0.208619 Br\n0.791382 0.791381 0.791378 Br\n0.624730 0.624729 0.624727 Br\n0.375272 0.375272 0.375270 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cd",
"Br"
],
"chemical_system": "Br-Cd",
"density": 5.139113114456776,
"density_atomic": 0.0341068726659592,
"volume": 175.91762395701488,
"volume_molar": 17.65667822723153,
"formula_full": "Cd2 Br4",
"formula_reduced": "CdBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.3333333333331804e-05,
"spacegroup": 166
},
{
"id": "jvasp-92631",
"created_at": "2022-09-04T14:36:31.106617Z",
"updated_at": "2022-09-04T14:36:31.106642Z",
"structure_string": "Cd1 Br2 N2\n1.0\n0.000000 0.000000 -3.901141\n-3.791738 -4.073470 0.000000\n-3.791738 4.073470 0.000000\nCd Br N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.748907 0.748907 Br\n0.500000 0.251094 0.251094 Br\n0.000000 0.301270 0.698731 N\n0.000000 0.698731 0.301270 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cd",
"Br",
"N"
],
"chemical_system": "Br-Cd-N",
"density": 4.136968071818059,
"density_atomic": 0.04149019902036503,
"volume": 120.51038843042915,
"volume_molar": 14.514610443406395,
"formula_full": "Cd1 Br2 N2",
"formula_reduced": "Cd(BrN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.0647388920000003,
"spacegroup": 65
}
]
}