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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=438",
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"results": [
{
"id": "jvasp-52324",
"created_at": "2022-09-04T14:36:52.790897Z",
"updated_at": "2022-09-04T14:36:52.790922Z",
"structure_string": "Nb4 Al4 O16\n1.0\n3.794964 -0.005913 -0.001705\n-1.888001 6.110006 -0.014555\n-1.895082 -2.296498 12.633319\nNb Al O\n4 4 16\ndirect\n0.309038 0.509347 0.114143 Nb\n0.504182 0.399203 0.614612 Nb\n0.182946 0.987755 0.383554 Nb\n0.987810 0.097900 0.883086 Nb\n0.995643 0.904079 0.092635 Al\n0.786052 0.982804 0.594781 Al\n0.496339 0.593021 0.405064 Al\n0.705926 0.514297 0.902917 Al\n0.542710 0.195197 0.895591 O\n0.949280 0.301906 0.602108 O\n0.187093 0.459456 0.920101 O\n0.124581 0.189048 0.065485 O\n0.367397 0.308053 0.432215 O\n0.623299 0.493611 0.758421 O\n0.391661 0.531389 0.257362 O\n0.028219 0.660601 0.401260 O\n0.877167 0.822259 0.937487 O\n0.811039 0.557150 0.070339 O\n0.304892 0.037644 0.577602 O\n0.463764 0.836503 0.096440 O\n0.680953 0.939962 0.427361 O\n0.100313 0.965726 0.240337 O\n0.614820 0.674845 0.560210 O\n0.868683 0.003499 0.739279 O\n",
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"density": 4.1737622671632515,
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"volume": 292.636779837329,
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"formula_full": "Nb4 Al4 O16",
"formula_reduced": "NbAlO4",
"formula_anonymous": "ABC4",
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"spacegroup": 12
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{
"id": "jvasp-12983",
"created_at": "2022-09-04T14:36:53.187919Z",
"updated_at": "2022-09-04T14:36:53.187939Z",
"structure_string": "Sr2 Bi4 O8\n1.0\n4.277317 -0.000000 -0.965832\n-0.098566 6.059454 -0.436514\n-0.007396 0.096943 9.921504\nSr Bi O\n2 4 8\ndirect\n0.234536 0.260594 0.469074 Sr\n0.765462 0.739405 0.530926 Sr\n0.426209 0.725282 0.852420 Bi\n0.573790 0.274717 0.147580 Bi\n0.100186 0.810597 0.200374 Bi\n0.899813 0.189402 0.799626 Bi\n0.090128 0.172351 0.180256 O\n0.909871 0.827648 0.819744 O\n0.206268 0.853126 0.412539 O\n0.793730 0.146873 0.587461 O\n0.326199 0.575535 0.652399 O\n0.673800 0.424464 0.347601 O\n0.588876 0.921087 0.177753 O\n0.411123 0.078912 0.822247 O\n",
"nsites": 14,
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"elements": [
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"Bi",
"O"
],
"chemical_system": "Bi-O-Sr",
"density": 7.351941697887638,
"density_atomic": 0.05441235033755693,
"volume": 257.2945280464536,
"volume_molar": 11.067599033382225,
"formula_full": "Sr2 Bi4 O8",
"formula_reduced": "Sr(BiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5056555585714282,
"spacegroup": 12
},
{
"id": "jvasp-12962",
"created_at": "2022-09-04T14:36:53.028263Z",
"updated_at": "2022-09-04T14:36:53.028285Z",
"structure_string": "Ca5 P8\n1.0\n6.791612 0.001961 -1.075671\n-3.623209 5.744421 -1.075671\n0.005882 0.010668 7.489306\nCa P\n5 8\ndirect\n0.500000 0.500000 0.500000 Ca\n0.824453 0.175546 0.500000 Ca\n0.175546 0.824454 0.500000 Ca\n0.334671 0.665329 0.000000 Ca\n0.665329 0.334671 0.000000 Ca\n0.224863 0.224864 0.755808 P\n0.775136 0.775136 0.244192 P\n0.612189 0.920740 0.759224 P\n0.079259 0.387810 0.240777 P\n0.387810 0.079260 0.240777 P\n0.920740 0.612190 0.759224 P\n0.947122 0.947122 0.835272 P\n0.052877 0.052878 0.164729 P\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Ca",
"P"
],
"chemical_system": "Ca-P",
"density": 2.545249347097183,
"density_atomic": 0.044460262678998136,
"volume": 292.3959332822579,
"volume_molar": 13.544995906748662,
"formula_full": "Ca5 P8",
"formula_reduced": "Ca5P8",
"formula_anonymous": "A5B8",
"energy_above_hull": 1.9658089307692304,
"spacegroup": 12
},
{
"id": "jvasp-107522",
"created_at": "2022-09-04T14:36:57.959617Z",
"updated_at": "2022-09-04T14:36:57.959632Z",
"structure_string": "Sr2 Cd2 Ga2\n1.0\n4.820755 0.012937 3.940241\n2.378630 4.193086 3.940241\n0.024775 0.014474 7.883950\nSr Cd Ga\n2 2 2\ndirect\n0.542460 0.542462 0.710935 Sr\n0.457537 0.457539 0.289066 Sr\n0.827169 0.827172 0.113731 Cd\n0.172829 0.172829 0.886269 Cd\n0.152460 0.152461 0.302125 Ga\n0.847537 0.847540 0.697876 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Cd",
"Ga"
],
"chemical_system": "Cd-Ga-Sr",
"density": 5.649530816396546,
"density_atomic": 0.037836995725055146,
"volume": 158.57495778997279,
"volume_molar": 15.91601194703791,
"formula_full": "Sr2 Cd2 Ga2",
"formula_reduced": "SrCdGa",
"formula_anonymous": "ABC",
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"spacegroup": 12
},
{
"id": "jvasp-45893",
"created_at": "2022-09-04T14:36:53.074352Z",
"updated_at": "2022-09-04T14:36:53.074383Z",
"structure_string": "Mn9 Cd1 O10\n1.0\n-4.459638 2.237075 2.237075\n2.229856 -4.485015 6.722165\n4.459712 2.237150 2.237150\nMn Cd O\n9 1 10\ndirect\n0.500001 0.397154 0.301424 Mn\n0.000000 0.002951 0.998525 Mn\n0.500001 0.003182 0.498409 Mn\n-0.000000 0.597049 0.201475 Mn\n0.000000 0.203845 0.398077 Mn\n0.500001 0.202846 0.898577 Mn\n0.500001 0.596817 0.701592 Mn\n0.000000 0.396154 0.801923 Mn\n-0.000000 0.799999 0.600000 Mn\n0.500000 0.799999 0.100001 Cd\n0.757891 0.010777 0.253017 O\n0.748476 0.401039 0.051575 O\n0.748477 0.198961 0.652614 O\n0.757891 0.589222 0.463795 O\n0.251525 0.198961 0.148426 O\n0.237420 0.799999 0.362022 O\n0.762581 0.799999 0.837980 O\n0.242110 0.010777 0.736206 O\n0.251525 0.401039 0.547387 O\n0.242110 0.589222 0.946984 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Cd",
"O"
],
"chemical_system": "Cd-Mn-O",
"density": 5.694304300301373,
"density_atomic": 0.0894360515923992,
"volume": 223.623467761626,
"volume_molar": 6.7334600004991705,
"formula_full": "Mn9 Cd1 O10",
"formula_reduced": "Mn9CdO10",
"formula_anonymous": "AB9C10",
"energy_above_hull": 3.75082399612069,
"spacegroup": 12
},
{
"id": "jvasp-10170",
"created_at": "2022-09-04T14:36:53.116151Z",
"updated_at": "2022-09-04T14:36:53.116182Z",
"structure_string": "Ca2 Sb4 O8\n1.0\n3.510427 0.000079 0.003303\n1.755056 6.607344 0.015605\n1.746214 1.744827 9.994109\nCa Sb O\n2 4 8\ndirect\n0.748724 0.733479 0.760937 Ca\n0.248951 0.233454 0.260948 Ca\n0.387876 0.303790 0.912180 Sb\n0.888187 0.803776 0.412128 Sb\n0.109478 0.163163 0.609762 Sb\n0.609788 0.663151 0.109709 Sb\n0.082562 0.597404 0.229760 O\n0.582327 0.097439 0.729793 O\n0.415344 0.869494 0.292093 O\n0.915109 0.369528 0.792127 O\n0.761562 0.357055 0.112124 O\n0.261343 0.857087 0.612163 O\n0.236112 0.609884 0.909759 O\n0.736332 0.109852 0.409718 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"O"
],
"chemical_system": "Ca-O-Sb",
"density": 4.982606536559032,
"density_atomic": 0.06042703229746522,
"volume": 231.68438805801273,
"volume_molar": 9.965971405570112,
"formula_full": "Ca2 Sb4 O8",
"formula_reduced": "Ca(SbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7469766599999998,
"spacegroup": 12
},
{
"id": "jvasp-58913",
"created_at": "2022-09-04T14:36:53.213998Z",
"updated_at": "2022-09-04T14:36:53.214027Z",
"structure_string": "K2 Bi8 Se13\n1.0\n4.206069 0.000979 -0.000021\n-0.002585 12.207945 0.093506\n-2.102948 -0.457621 13.711145\nK Bi Se\n2 8 13\ndirect\n0.586677 0.049951 0.173342 K\n0.413324 0.950049 0.826658 K\n0.558920 0.377914 0.117825 Bi\n0.281115 0.133689 0.562267 Bi\n0.718886 0.866310 0.437733 Bi\n0.074961 0.705575 0.149960 Bi\n0.925039 0.294425 0.850040 Bi\n0.188755 0.450912 0.377504 Bi\n0.811246 0.549088 0.622496 Bi\n0.441081 0.622086 0.882175 Bi\n0.482298 0.195915 0.964525 Se\n0.517703 0.804085 0.035475 Se\n0.370491 0.430035 0.740954 Se\n0.746886 0.355964 0.493748 Se\n0.253115 0.644035 0.506252 Se\n0.000001 0.500000 0.000000 Se\n0.140632 0.882908 0.281253 Se\n0.708058 0.089997 0.416141 Se\n0.291943 0.910003 0.583859 Se\n0.111482 0.268302 0.222947 Se\n0.859368 0.117092 0.718747 Se\n0.629510 0.569964 0.259046 Se\n0.888519 0.731698 0.777053 Se\n",
"nsites": 23,
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"elements": [
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"Bi",
"Se"
],
"chemical_system": "Bi-K-Se",
"density": 6.547064395860458,
"density_atomic": 0.0326606313960545,
"volume": 704.2117380124645,
"volume_molar": 18.438531352849147,
"formula_full": "K2 Bi8 Se13",
"formula_reduced": "K2Bi8Se13",
"formula_anonymous": "A2B8C13",
"energy_above_hull": 1.2732171376811592,
"spacegroup": 12
},
{
"id": "jvasp-12614",
"created_at": "2022-09-04T14:36:53.341624Z",
"updated_at": "2022-09-04T14:36:53.341646Z",
"structure_string": "Co2 P2 O7\n1.0\n4.509415 0.002107 -0.607826\n-0.901805 5.022954 -1.247736\n-0.023183 0.036721 5.253407\nCo P O\n2 2 7\ndirect\n0.500000 0.316984 0.683015 Co\n0.500000 0.683015 0.316984 Co\n0.904393 0.217493 0.217492 P\n0.095608 0.782506 0.782507 P\n0.000000 0.000000 0.000000 O\n0.279948 0.618966 0.928266 O\n0.720053 0.071734 0.381033 O\n0.720053 0.381034 0.071733 O\n0.791852 0.621931 0.621930 O\n0.208148 0.378069 0.378069 O\n0.279948 0.928265 0.618966 O\n",
"nsites": 11,
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"elements": [
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],
"chemical_system": "Co-O-P",
"density": 4.066520201657261,
"density_atomic": 0.09231383151572944,
"volume": 119.1587416467022,
"volume_molar": 6.523551954371953,
"formula_full": "Co2 P2 O7",
"formula_reduced": "Co2P2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.076853390909091,
"spacegroup": 12
},
{
"id": "jvasp-11142",
"created_at": "2022-09-04T14:36:53.367898Z",
"updated_at": "2022-09-04T14:36:53.367919Z",
"structure_string": "Rb6 Ga2 O6\n1.0\n6.742517 -0.007491 -0.864126\n-1.231582 6.116525 -2.794763\n-0.003986 0.033820 6.836535\nRb Ga O\n6 2 6\ndirect\n0.654604 0.371920 0.371920 Rb\n0.345396 0.628079 0.628080 Rb\n0.500000 0.191465 0.808535 Rb\n0.500000 0.808534 0.191465 Rb\n-0.000000 0.263165 0.736835 Rb\n-0.000000 0.736834 0.263166 Rb\n0.851786 0.833442 0.833443 Ga\n0.148214 0.166557 0.166557 Ga\n0.147676 0.904167 0.904168 O\n0.852324 0.095832 0.095832 O\n0.733453 0.847692 0.580093 O\n0.266547 0.419907 0.152307 O\n0.266547 0.152307 0.419907 O\n0.733453 0.580092 0.847693 O\n",
"nsites": 14,
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"elements": [
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"Ga",
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],
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"density": 4.3977049562714265,
"density_atomic": 0.04955172366034696,
"volume": 282.5330576987233,
"volume_molar": 12.15324173439224,
"formula_full": "Rb6 Ga2 O6",
"formula_reduced": "Rb3GaO3",
"formula_anonymous": "AB3C3",
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"spacegroup": 12
},
{
"id": "jvasp-104750",
"created_at": "2022-09-04T14:36:53.794596Z",
"updated_at": "2022-09-04T14:36:53.794618Z",
"structure_string": "Ce2 Ge2 Pd2\n1.0\n4.419304 -0.021177 3.548512\n2.175438 3.846838 3.548512\n-0.014684 -0.008518 7.377479\nCe Ge Pd\n2 2 2\ndirect\n0.466530 0.466530 0.296013 Ce\n0.533471 0.533470 0.703986 Ce\n0.159077 0.159075 0.893971 Ge\n0.840924 0.840924 0.106029 Ge\n0.819724 0.819724 0.707956 Pd\n0.180276 0.180276 0.292044 Pd\n",
"nsites": 6,
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],
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"density": 8.41083310132026,
"density_atomic": 0.04760811044300504,
"volume": 126.02894641624172,
"volume_molar": 12.649400919218422,
"formula_full": "Ce2 Ge2 Pd2",
"formula_reduced": "CeGePd",
"formula_anonymous": "ABC",
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"spacegroup": 12
},
{
"id": "jvasp-8515",
"created_at": "2022-09-04T14:36:53.820690Z",
"updated_at": "2022-09-04T14:36:53.820712Z",
"structure_string": "Sm3 Ge4 Ru2\n1.0\n4.366138 0.000000 0.000000\n-2.183069 5.160896 -1.832914\n0.000000 -0.000146 8.305994\nSm Ge Ru\n3 4 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.621843 0.243687 0.697928 Sm\n0.378157 0.756313 0.302072 Sm\n0.291204 0.582408 0.920166 Ge\n0.708796 0.417592 0.079834 Ge\n0.903305 0.806609 0.598658 Ge\n0.096695 0.193391 0.401342 Ge\n0.315141 0.630282 0.637819 Ru\n0.684859 0.369718 0.362181 Ru\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "Ge-Ru-Sm",
"density": 8.37352651170612,
"density_atomic": 0.048087371840536075,
"volume": 187.15932386251345,
"volume_molar": 12.523331031627588,
"formula_full": "Sm3 Ge4 Ru2",
"formula_reduced": "Sm3(Ge2Ru)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.125876825,
"spacegroup": 12
},
{
"id": "jvasp-103700",
"created_at": "2022-09-04T14:36:53.924803Z",
"updated_at": "2022-09-04T14:36:53.924819Z",
"structure_string": "Mn1 Cr3 Te4\n1.0\n6.442877 0.003969 3.588899\n5.111142 3.922614 3.588899\n0.014211 0.004829 7.170638\nMn Cr Te\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Cr\n0.243627 0.243627 0.753464 Cr\n0.756373 0.756372 0.246536 Cr\n0.871619 0.871618 0.790828 Te\n0.375457 0.375456 0.295153 Te\n0.624544 0.624543 0.704848 Te\n0.128382 0.128382 0.209173 Te\n",
"nsites": 8,
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"elements": [
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],
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"density": 6.622949468744508,
"density_atomic": 0.04423444033330553,
"volume": 180.854554499168,
"volume_molar": 13.614144803513513,
"formula_full": "Mn1 Cr3 Te4",
"formula_reduced": "MnCr3Te4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.240825063505747,
"spacegroup": 12
}
]
}