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=-nsites&page=544",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=542",
"results": [
{
"id": "jvasp-96632",
"created_at": "2022-09-04T14:36:15.820017Z",
"updated_at": "2022-09-04T14:36:15.820033Z",
"structure_string": "Tm8 S8 O4\n1.0\n6.674507 0.000000 -1.149489\n0.000000 6.778449 0.000000\n0.009255 0.000000 8.148236\nTm S O\n8 8 4\ndirect\n0.175979 0.354033 0.424646 Tm\n0.824022 0.645967 0.575355 Tm\n0.675979 0.145967 0.424646 Tm\n0.251029 0.446216 0.861669 Tm\n0.248972 0.946216 0.138331 Tm\n0.748972 0.553784 0.138331 Tm\n0.751030 0.053784 0.861669 Tm\n0.324022 0.854033 0.575355 Tm\n0.419363 0.630593 0.317837 S\n0.080638 0.130593 0.682163 S\n0.580638 0.369407 0.682163 S\n0.969426 0.722016 0.924300 S\n0.530575 0.222016 0.075701 S\n0.030575 0.277984 0.075701 S\n0.469426 0.777984 0.924300 S\n0.919364 0.869407 0.317837 S\n0.650170 0.913152 0.616537 O\n0.849831 0.413152 0.383463 O\n0.349831 0.086848 0.383463 O\n0.150170 0.586848 0.616537 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tm",
"S",
"O"
],
"chemical_system": "O-S-Tm",
"density": 7.52982764151079,
"density_atomic": 0.054241529263702015,
"volume": 368.7211675535084,
"volume_molar": 11.102453860993862,
"formula_full": "Tm8 S8 O4",
"formula_reduced": "Tm2S2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.3251664,
"spacegroup": 14
},
{
"id": "jvasp-42160",
"created_at": "2022-09-04T14:36:38.363462Z",
"updated_at": "2022-09-04T14:36:38.363477Z",
"structure_string": "Yb4 Hf4 O12\n1.0\n5.492847 -0.000000 0.000000\n0.000000 5.708256 0.000000\n0.000000 0.000000 7.900804\nYb Hf O\n4 4 12\ndirect\n0.983610 0.056239 0.250000 Yb\n0.483610 0.443762 0.750000 Yb\n0.516390 0.556239 0.250000 Yb\n0.016390 0.943762 0.750000 Yb\n0.500000 0.000000 0.000000 Hf\n0.500000 0.000000 0.500000 Hf\n0.000000 0.500000 0.000000 Hf\n0.000000 0.500000 0.500000 Hf\n0.804027 0.800900 0.059279 O\n0.304026 0.699101 0.940721 O\n0.304026 0.699101 0.559278 O\n0.888112 0.541961 0.750000 O\n0.111888 0.458040 0.250000 O\n0.195974 0.199101 0.559278 O\n0.695974 0.300900 0.059279 O\n0.195974 0.199101 0.940721 O\n0.804027 0.800900 0.440721 O\n0.611889 0.041961 0.750000 O\n0.695974 0.300900 0.440721 O\n0.388112 0.958040 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Yb",
"Hf",
"O"
],
"chemical_system": "Hf-O-Yb",
"density": 10.712338692217697,
"density_atomic": 0.08073424040608772,
"volume": 247.72636615395606,
"volume_molar": 7.459215234712115,
"formula_full": "Yb4 Hf4 O12",
"formula_reduced": "YbHfO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.77297884,
"spacegroup": 62
},
{
"id": "jvasp-52273",
"created_at": "2022-09-04T14:36:33.014648Z",
"updated_at": "2022-09-04T14:36:33.014673Z",
"structure_string": "Mg9 Cu1 O10\n1.0\n-3.008131 0.006741 -0.029986\n1.480412 6.492064 0.023274\n-0.151927 -2.002534 -9.753275\nMg Cu O\n9 1 10\ndirect\n0.604467 0.200451 0.800349 Mg\n0.226740 0.401903 0.602922 Mg\n0.297316 0.599928 0.901088 Mg\n0.690300 0.397492 0.100863 Mg\n0.911624 0.800974 0.699616 Mg\n0.811143 0.595485 0.401197 Mg\n0.518676 0.003415 0.499832 Mg\n0.397868 0.805428 0.199510 Mg\n-0.017782 -0.001001 0.997775 Mg\n0.104526 0.200469 0.300347 Cu\n0.067395 0.100725 0.650838 O\n0.141551 0.300176 0.949859 O\n0.710374 0.305026 0.457930 O\n0.498614 0.095875 0.142765 O\n0.759173 0.501419 0.751328 O\n0.252303 0.501021 0.250761 O\n0.369374 0.701571 0.549978 O\n0.449763 0.899482 0.849371 O\n0.839591 0.699333 0.050724 O\n0.956714 0.899891 0.349937 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"O"
],
"chemical_system": "Cu-Mg-O",
"density": 3.855527839092705,
"density_atomic": 0.10499352842234635,
"volume": 190.4879310232162,
"volume_molar": 5.735725668514894,
"formula_full": "Mg9 Cu1 O10",
"formula_reduced": "Mg9CuO10",
"formula_anonymous": "AB9C10",
"energy_above_hull": 0.875353845,
"spacegroup": 2
},
{
"id": "jvasp-43212",
"created_at": "2022-09-04T14:36:22.232713Z",
"updated_at": "2022-09-04T14:36:22.232748Z",
"structure_string": "Li5 Cr2 Co3 O10\n1.0\n4.978813 -0.034191 -0.010065\n0.764329 4.920912 -0.012240\n2.455522 2.066087 6.840295\nLi Cr Co O\n5 2 3 10\ndirect\n0.218809 0.498229 0.588458 Li\n0.411571 0.487643 0.209106 Li\n0.500000 0.000001 0.499999 Li\n0.588429 0.512358 0.790893 Li\n0.781191 0.501772 0.411541 Li\n0.106028 0.992809 0.304197 Cr\n0.893972 0.007192 0.695802 Cr\n0.698150 0.999746 0.101964 Co\n0.301850 0.000255 0.898035 Co\n0.000000 0.500000 -0.000000 Co\n0.642328 0.776130 0.948013 O\n0.038122 0.770009 0.134154 O\n0.357672 0.223871 0.051986 O\n0.135506 0.231446 0.451714 O\n0.222414 0.759972 0.767702 O\n0.445582 0.769072 0.335287 O\n0.554418 0.230929 0.664712 O\n0.777586 0.240029 0.232297 O\n0.864494 0.768555 0.548285 O\n0.961877 0.229992 0.865845 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-O",
"density": 4.69980782922274,
"density_atomic": 0.11904712013424304,
"volume": 168.0007040695069,
"volume_molar": 5.058619438428376,
"formula_full": "Li5 Cr2 Co3 O10",
"formula_reduced": "Li5Cr2Co3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.879655125,
"spacegroup": 2
},
{
"id": "jvasp-91312",
"created_at": "2022-09-04T14:36:22.220137Z",
"updated_at": "2022-09-04T14:36:22.220151Z",
"structure_string": "Pb6 S2 O12\n1.0\n5.967979 0.000000 0.000000\n0.000000 7.723641 -1.296743\n-0.000000 0.340579 7.824333\nPb S O\n6 2 12\ndirect\n0.750000 0.106224 0.893776 Pb\n0.750000 0.155335 0.361442 Pb\n0.750000 0.638558 0.844665 Pb\n0.250000 0.893776 0.106224 Pb\n0.250000 0.361442 0.155335 Pb\n0.250000 0.844665 0.638558 Pb\n0.750000 0.640601 0.359399 S\n0.250000 0.359399 0.640601 S\n0.046054 0.288119 0.711881 O\n0.250000 0.550368 0.686644 O\n0.750000 0.686645 0.550368 O\n0.453946 0.288119 0.711881 O\n0.500000 0.857267 0.857267 O\n0.000000 0.142733 0.142733 O\n0.546054 0.711881 0.288119 O\n0.953946 0.711881 0.288119 O\n0.000000 0.857267 0.857267 O\n0.750000 0.449632 0.313356 O\n0.250000 0.313356 0.449632 O\n0.500000 0.142733 0.142733 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pb",
"S",
"O"
],
"chemical_system": "O-Pb-S",
"density": 6.853071149204718,
"density_atomic": 0.05505173283974319,
"volume": 363.29464974736476,
"volume_molar": 10.939057590667645,
"formula_full": "Pb6 S2 O12",
"formula_reduced": "Pb3SO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.909289346,
"spacegroup": 63
},
{
"id": "jvasp-96645",
"created_at": "2022-09-04T14:36:13.252930Z",
"updated_at": "2022-09-04T14:36:13.252948Z",
"structure_string": "Sr4 Cd2 W2 O12\n1.0\n5.766394 0.000000 -0.002812\n0.000000 5.913395 0.000000\n0.011217 0.000000 8.184344\nSr Cd W O\n4 2 2 12\ndirect\n0.010166 0.547006 0.251596 Sr\n0.489834 0.047006 0.248404 Sr\n0.989833 0.452995 0.748404 Sr\n0.510166 0.952995 0.751596 Sr\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 W\n0.586426 0.470559 0.271538 O\n0.913574 0.970560 0.228462 O\n0.680110 0.229946 0.549756 O\n0.272705 0.815129 0.040818 O\n0.227295 0.315129 0.459182 O\n0.727295 0.184872 0.959182 O\n0.772705 0.684872 0.540818 O\n0.180110 0.270054 0.049756 O\n0.319890 0.770055 0.450244 O\n0.819890 0.729946 0.950244 O\n0.086426 0.029441 0.771538 O\n0.413574 0.529442 0.728461 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Cd",
"W",
"O"
],
"chemical_system": "Cd-O-Sr-W",
"density": 6.753205230838813,
"density_atomic": 0.07166459113512279,
"volume": 279.0778497890293,
"volume_molar": 8.403230472138354,
"formula_full": "Sr4 Cd2 W2 O12",
"formula_reduced": "Sr2CdWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.054565337,
"spacegroup": 14
},
{
"id": "jvasp-50816",
"created_at": "2022-09-04T14:36:13.593376Z",
"updated_at": "2022-09-04T14:36:13.593406Z",
"structure_string": "Nb4 O4 F12\n1.0\n8.463373 0.000000 0.000000\n0.000000 8.463373 -0.000000\n0.000000 -0.000000 3.923874\nNb O F\n4 4 12\ndirect\n0.645686 0.145686 0.793997 Nb\n0.145686 0.354314 0.206002 Nb\n0.854314 0.645686 0.206002 Nb\n0.354314 0.854314 0.793997 Nb\n0.629031 0.129031 0.256923 O\n0.129031 0.370969 0.743076 O\n0.870969 0.629031 0.743076 O\n0.370969 0.870969 0.256923 O\n0.877582 0.865775 0.249113 F\n0.377582 0.634224 0.750886 F\n0.634224 0.622418 0.249113 F\n0.103080 0.603080 0.247156 F\n0.896920 0.396920 0.247156 F\n0.865775 0.122418 0.750886 F\n0.622418 0.365775 0.750886 F\n0.122418 0.134224 0.249113 F\n0.134224 0.877582 0.750886 F\n0.396920 0.103080 0.752843 F\n0.365775 0.377582 0.249113 F\n0.603080 0.896920 0.752843 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"O",
"F"
],
"chemical_system": "F-Nb-O",
"density": 3.9206317164152322,
"density_atomic": 0.07115869570597261,
"volume": 281.0619250616946,
"volume_molar": 8.462972374990482,
"formula_full": "Nb4 O4 F12",
"formula_reduced": "NbOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.9937767494999996,
"spacegroup": 113
},
{
"id": "jvasp-116501",
"created_at": "2022-09-04T14:38:42.399150Z",
"updated_at": "2022-09-04T14:38:42.399173Z",
"structure_string": "Li6 Mn4 O10\n1.0\n2.834096 0.073740 -0.028384\n1.131139 11.751220 1.137796\n0.053786 -0.046575 5.030816\nLi Mn O\n6 4 10\ndirect\n0.899881 0.200007 0.299995 Li\n0.399946 0.200002 0.800003 Li\n0.303749 0.392234 0.092794 Li\n0.496235 0.007773 0.507216 Li\n0.701828 0.596383 0.900323 Li\n0.098233 0.803623 0.699665 Li\n0.996734 0.006220 0.992473 Mn\n0.600916 0.798159 0.201280 Mn\n0.803280 0.393778 0.607538 Mn\n0.199147 0.601839 0.398712 Mn\n0.053952 0.891469 0.328910 O\n0.455152 0.088867 0.141360 O\n0.344848 0.311129 0.458651 O\n0.844753 0.310689 0.922644 O\n0.955224 0.089311 0.677375 O\n0.250409 0.498976 0.721112 O\n0.549603 0.901021 0.878886 O\n0.651066 0.697411 0.534272 O\n0.148970 0.702584 0.065724 O\n0.746103 0.508528 0.271087 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.182504419310138,
"density_atomic": 0.1195448399213864,
"volume": 167.3012403810332,
"volume_molar": 5.03755809448589,
"formula_full": "Li6 Mn4 O10",
"formula_reduced": "Li3Mn2O5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 2.4975401982758623,
"spacegroup": 12
},
{
"id": "jvasp-5425",
"created_at": "2022-09-04T14:38:35.754217Z",
"updated_at": "2022-09-04T14:38:35.754245Z",
"structure_string": "Ag4 Cl4 O12\n1.0\n6.798989 0.401332 -2.342451\n-3.464397 5.797489 -2.502294\n0.239823 -0.401333 7.187199\nAg Cl O\n4 4 12\ndirect\n0.500000 0.750000 0.250000 Ag\n-0.000000 0.302835 0.302835 Ag\n-0.000000 0.697166 0.697166 Ag\n0.500000 0.250000 0.750000 Ag\n0.454833 0.260491 0.194342 Cl\n0.933850 0.194342 0.739509 Cl\n0.066149 0.805659 0.260492 Cl\n0.545167 0.739509 0.805659 Cl\n0.662126 0.905433 0.066889 O\n0.161456 0.066889 0.404762 O\n0.318522 0.574130 0.744393 O\n0.662126 0.595239 0.756696 O\n0.161455 0.756695 0.094568 O\n0.838544 0.933112 0.595239 O\n0.337873 0.094568 0.933112 O\n0.681477 0.425870 0.255608 O\n0.829736 0.255608 0.574130 O\n0.170263 0.744393 0.425871 O\n0.337873 0.404762 0.243305 O\n0.838544 0.243305 0.905433 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ag",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-O",
"density": 4.439810801927718,
"density_atomic": 0.06987573033946633,
"volume": 286.2224108833944,
"volume_molar": 8.618358235031785,
"formula_full": "Ag4 Cl4 O12",
"formula_reduced": "AgClO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5022803655,
"spacegroup": 87
},
{
"id": "jvasp-19159",
"created_at": "2022-09-04T14:38:35.712992Z",
"updated_at": "2022-09-04T14:38:35.713012Z",
"structure_string": "Y1 Fe4 Cu3 O12\n1.0\n5.899322 -0.000037 -2.085800\n-2.949649 5.108876 -2.085669\n-0.000062 0.000052 6.257224\nY Fe Cu O\n1 4 3 12\ndirect\n-0.000000 0.000000 0.000001 Y\n0.500000 -0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 1.000000 0.500000 Cu\n0.500001 0.500000 0.000000 Cu\n0.000000 0.500001 0.500000 Cu\n0.700021 0.522700 0.822670 O\n0.177337 0.299990 0.477333 O\n0.522670 0.822663 0.700006 O\n0.700010 0.877351 0.177339 O\n0.122654 0.822665 0.299983 O\n0.177346 0.699999 0.877346 O\n0.299980 0.477301 0.177329 O\n0.822662 0.700010 0.522666 O\n0.877345 0.177334 0.700017 O\n0.822653 0.300001 0.122653 O\n0.477329 0.177336 0.299994 O\n0.299991 0.122649 0.822661 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Y",
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-O-Y",
"density": 6.118902496296505,
"density_atomic": 0.10605269608131312,
"volume": 188.5854932406954,
"volume_molar": 5.67844192794748,
"formula_full": "Y1 Fe4 Cu3 O12",
"formula_reduced": "YFe4(CuO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.72343854,
"spacegroup": 204
},
{
"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-21780",
"created_at": "2022-09-04T14:38:35.728872Z",
"updated_at": "2022-09-04T14:38:35.728903Z",
"structure_string": "Dy4 B4 O12\n1.0\n6.129556 -0.060506 -0.101793\n-1.924583 6.094596 0.003779\n-1.961805 -0.887005 6.014136\nDy B O\n4 4 12\ndirect\n0.558134 0.273177 0.848121 Dy\n0.441866 0.726823 0.151881 Dy\n0.938565 0.819050 0.719540 Dy\n0.061436 0.180950 0.280461 Dy\n0.990389 0.281509 0.769248 B\n0.009612 0.718491 0.230753 B\n0.474300 0.760989 0.710635 B\n0.525701 0.239010 0.289366 B\n0.871503 0.128421 0.883613 O\n0.128498 0.871578 0.116388 O\n0.347599 0.877457 0.780936 O\n0.652402 0.122543 0.219065 O\n0.120685 0.204529 0.661387 O\n0.589204 0.644936 0.866510 O\n0.528686 0.770839 0.520014 O\n0.471314 0.229161 0.479987 O\n0.041648 0.518301 0.232927 O\n0.410796 0.355064 0.133491 O\n0.879316 0.795470 0.338615 O\n0.958353 0.481699 0.767074 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Dy",
"B",
"O"
],
"chemical_system": "B-Dy-O",
"density": 6.603613697802534,
"density_atomic": 0.08984690023409307,
"volume": 222.60089049138784,
"volume_molar": 6.702669479202415,
"formula_full": "Dy4 B4 O12",
"formula_reduced": "DyBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1280059166666665,
"spacegroup": 2
}
]
}