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=spacegroup&page=1238",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1236",
"results": [
{
"id": "jvasp-89203",
"created_at": "2022-09-04T14:35:42.956613Z",
"updated_at": "2022-09-04T14:35:42.956634Z",
"structure_string": "Rb4 Hf4 F20\n1.0\n7.753125 0.030397 0.000008\n-3.722241 6.799420 -0.000010\n0.000008 -0.000007 7.925062\nRb Hf F\n4 4 20\ndirect\n0.703835 0.796211 0.500142 Rb\n0.796164 0.703790 0.000143 Rb\n0.296165 0.203789 0.499858 Rb\n0.203836 0.296210 0.999857 Rb\n0.162689 0.662418 0.338176 Hf\n0.837310 0.337582 0.661824 Hf\n0.662688 0.162418 0.161825 Hf\n0.337312 0.837582 0.838175 Hf\n0.937826 0.437069 0.209203 F\n0.562173 0.062931 0.709203 F\n0.062173 0.562931 0.790797 F\n0.437827 0.937069 0.290797 F\n0.070709 0.860056 0.288953 F\n0.429291 0.639944 0.788951 F\n0.911644 0.588079 0.499615 F\n0.360000 0.569899 0.289340 F\n0.140000 0.930100 0.789342 F\n0.639999 0.430101 0.710660 F\n0.860000 0.069900 0.210658 F\n0.790199 0.290671 0.935930 F\n0.709801 0.209329 0.435930 F\n0.209801 0.709329 0.064070 F\n0.290199 0.790670 0.564070 F\n0.411644 0.088079 0.000387 F\n0.088356 0.411921 0.500385 F\n0.588356 0.911921 0.999613 F\n0.570709 0.360056 0.211049 F\n0.929291 0.139944 0.711047 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Hf",
"F"
],
"chemical_system": "F-Hf-Rb",
"density": 5.69456273698136,
"density_atomic": 0.06687681619099252,
"volume": 418.68021826929095,
"volume_molar": 9.004825742304265,
"formula_full": "Rb4 Hf4 F20",
"formula_reduced": "RbHfF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.1113081521428569,
"spacegroup": 64
},
{
"id": "jvasp-96798",
"created_at": "2022-09-04T14:35:44.208405Z",
"updated_at": "2022-09-04T14:35:44.208429Z",
"structure_string": "C4 I4 Cl4 F16\n1.0\n4.957540 -0.097571 0.000000\n-0.384681 4.943556 0.000000\n-0.000000 0.000000 19.804950\nC I Cl F\n4 4 4 16\ndirect\n0.288198 0.711803 0.423685 C\n0.788198 0.211803 0.076315 C\n0.711802 0.288198 0.576315 C\n0.211802 0.788199 0.923685 C\n0.646392 0.353609 0.687097 I\n0.853609 0.146392 0.187097 I\n0.353609 0.646392 0.312903 I\n0.146392 0.853609 0.812903 I\n0.829971 0.170029 0.853972 Cl\n0.329971 0.670030 0.646028 Cl\n0.670029 0.329971 0.353972 Cl\n0.170029 0.829972 0.146028 Cl\n0.802031 0.525991 0.548360 F\n0.071652 0.928349 0.301776 F\n0.571652 0.428349 0.198224 F\n0.525990 0.802031 0.451640 F\n0.928348 0.071652 0.698224 F\n0.974010 0.697970 0.951640 F\n0.474010 0.197970 0.548360 F\n0.891402 0.108599 0.566959 F\n0.302030 0.025990 0.951640 F\n0.197970 0.474010 0.451640 F\n0.108598 0.891403 0.433041 F\n0.608598 0.391402 0.066959 F\n0.428348 0.571652 0.801776 F\n0.391402 0.608599 0.933041 F\n0.025990 0.302031 0.048360 F\n0.697970 0.974011 0.048360 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"C",
"I",
"Cl",
"F"
],
"chemical_system": "C-Cl-F-I",
"density": 3.431336569477848,
"density_atomic": 0.057775568278268824,
"volume": 484.63391766466907,
"volume_molar": 10.423334533024597,
"formula_full": "C4 I4 Cl4 F16",
"formula_reduced": "CIClF4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.6865230675,
"spacegroup": 64
},
{
"id": "jvasp-90802",
"created_at": "2022-09-04T14:35:44.233855Z",
"updated_at": "2022-09-04T14:35:44.233887Z",
"structure_string": "Bi8\n1.0\n5.763956 3.397402 0.000000\n-5.763956 3.397402 0.000000\n0.000000 0.000000 6.683900\nBi\n8\ndirect\n0.296385 0.703615 0.500000 Bi\n0.796385 0.203615 -0.000000 Bi\n0.703615 0.296385 0.500000 Bi\n0.203615 0.796385 -0.000000 Bi\n0.315851 0.315851 0.840838 Bi\n0.684149 0.684149 0.159162 Bi\n0.184149 0.184149 0.340838 Bi\n0.815851 0.815851 0.659162 Bi\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 10.605157097325435,
"density_atomic": 0.03056064054048965,
"volume": 261.77461789129836,
"volume_molar": 19.705544954207664,
"formula_full": "Bi8",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy_above_hull": 0.0822743000000001,
"spacegroup": 64
},
{
"id": "jvasp-14843",
"created_at": "2022-09-04T14:35:45.703398Z",
"updated_at": "2022-09-04T14:35:45.703423Z",
"structure_string": "As4\n1.0\n3.542312 -0.000000 -1.175403\n-0.000000 4.607788 0.000000\n-0.006730 -0.000000 5.905146\nAs\n4\ndirect\n0.890932 0.934497 0.781866 As\n0.109068 0.065504 0.218135 As\n0.609068 0.434497 0.218136 As\n0.390932 0.565504 0.781865 As\n",
"nsites": 4,
"nelements": 1,
"elements": [
"As"
],
"chemical_system": "As",
"density": 5.165001595613112,
"density_atomic": 0.04151588680054318,
"volume": 96.34865850794412,
"volume_molar": 14.505629589300277,
"formula_full": "As4",
"formula_reduced": "As",
"formula_anonymous": "A",
"energy_above_hull": 0.02549175,
"spacegroup": 64
},
{
"id": "jvasp-98174",
"created_at": "2022-09-04T14:35:48.308207Z",
"updated_at": "2022-09-04T14:35:48.308239Z",
"structure_string": "Na8 Li4 Al4 P8\n1.0\n5.773610 0.000000 0.000000\n-0.000000 8.803502 -1.418024\n0.000000 0.009024 8.916970\nNa Li Al P\n8 4 4 8\ndirect\n0.713077 0.820944 0.179056 Na\n0.286923 0.179055 0.820944 Na\n0.250000 0.067805 0.432195 Na\n0.250000 0.567805 0.932195 Na\n0.750000 0.932194 0.567806 Na\n0.786923 0.320944 0.679056 Na\n0.213077 0.679055 0.320944 Na\n0.750000 0.432195 0.067805 Na\n0.500000 0.881477 0.881478 Li\n0.000000 0.618522 0.618522 Li\n0.500000 0.118522 0.118522 Li\n0.000000 0.381478 0.381478 Li\n0.000000 0.870060 0.870061 Al\n0.000000 0.129939 0.129939 Al\n0.500000 0.370061 0.370061 Al\n0.500000 0.629939 0.629939 Al\n0.250000 0.852405 0.647595 P\n0.214721 0.895219 0.104781 P\n0.285279 0.395219 0.604781 P\n0.785279 0.104780 0.895219 P\n0.714721 0.604780 0.395220 P\n0.750000 0.147594 0.352406 P\n0.250000 0.352405 0.147594 P\n0.750000 0.647594 0.852406 P\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"Li",
"Al",
"P"
],
"chemical_system": "Al-Li-Na-P",
"density": 2.0784816884830923,
"density_atomic": 0.05294442506892091,
"volume": 453.3055174129811,
"volume_molar": 11.374456804773347,
"formula_full": "Na8 Li4 Al4 P8",
"formula_reduced": "Na2LiAlP2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.1531186333333334,
"spacegroup": 64
},
{
"id": "jvasp-91773",
"created_at": "2022-09-04T14:35:48.768784Z",
"updated_at": "2022-09-04T14:35:48.768813Z",
"structure_string": "Sn4 O4\n1.0\n-2.305401 -2.614061 0.000000\n-2.305401 2.614061 0.000000\n0.000000 0.000000 -12.254225\nSn O\n4 4\ndirect\n0.065670 0.934330 0.498965 Sn\n0.934330 0.065670 -0.001035 Sn\n0.436494 0.563505 0.271811 Sn\n0.563505 0.436494 0.771811 Sn\n0.472599 0.527401 0.447835 O\n0.527401 0.472599 0.947835 O\n0.029618 -0.029618 0.322930 O\n-0.029618 0.029618 0.822930 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sn",
"O"
],
"chemical_system": "O-Sn",
"density": 6.05799554714353,
"density_atomic": 0.05416415175326887,
"volume": 147.69916524202173,
"volume_molar": 11.11831454027443,
"formula_full": "Sn4 O4",
"formula_reduced": "SnO",
"formula_anonymous": "AB",
"energy_above_hull": 0.2847775999999999,
"spacegroup": 64
},
{
"id": "jvasp-97704",
"created_at": "2022-09-04T14:35:49.196797Z",
"updated_at": "2022-09-04T14:35:49.196822Z",
"structure_string": "Ba12 Mn10 O32\n1.0\n5.738801 0.000000 0.000000\n-2.869401 6.638510 -0.000000\n0.000000 -0.000000 20.099536\nBa Mn O\n12 10 32\ndirect\n0.121408 0.242815 0.839358 Ba\n0.645685 0.291370 0.981266 Ba\n0.354315 0.708630 0.018734 Ba\n0.854315 0.708630 0.481266 Ba\n0.145685 0.291370 0.518734 Ba\n0.914174 0.828347 0.678509 Ba\n0.878592 0.757185 0.160642 Ba\n0.585826 0.171653 0.178509 Ba\n0.414174 0.828347 0.821491 Ba\n0.621408 0.242815 0.660642 Ba\n0.378592 0.757185 0.339358 Ba\n0.085826 0.171653 0.321491 Ba\n0.877200 0.754401 0.906291 Mn\n0.122800 0.245599 0.093709 Mn\n0.622800 0.245599 0.406291 Mn\n0.377200 0.754401 0.593709 Mn\n0.000000 0.000000 0.000000 Mn\n0.749881 0.499762 0.811126 Mn\n0.750119 0.500238 0.311126 Mn\n0.249881 0.499762 0.688874 Mn\n0.500000 0.000000 0.500000 Mn\n0.250119 0.500238 0.188874 Mn\n0.884975 0.769950 0.314149 O\n0.588092 0.176185 0.316016 O\n0.411908 0.823815 0.683984 O\n0.615025 0.230050 0.814149 O\n0.384975 0.769950 0.185851 O\n0.943005 0.450996 0.385331 O\n0.987689 0.475379 0.250000 O\n0.492009 0.549004 0.614669 O\n0.556995 0.549004 0.885331 O\n0.007991 0.450996 0.114669 O\n0.056995 0.549004 0.614669 O\n0.507991 0.450996 0.385331 O\n0.443005 0.450996 0.114669 O\n0.992009 0.549004 0.885331 O\n0.794324 0.037586 0.069274 O\n0.756738 0.962414 0.930726 O\n0.705676 0.962414 0.569274 O\n0.743262 0.037586 0.430726 O\n0.205676 0.962414 0.930726 O\n0.243262 0.037586 0.069274 O\n0.294324 0.037586 0.430726 O\n0.256738 0.962414 0.569274 O\n0.855096 0.710193 0.002516 O\n0.144904 0.289807 -0.002516 O\n0.644904 0.289807 0.502516 O\n0.355096 0.710193 0.497484 O\n0.911908 0.823815 0.816017 O\n0.088092 0.176185 0.183984 O\n0.012311 0.524621 0.750000 O\n0.487689 0.475379 0.250000 O\n0.512311 0.524621 0.750000 O\n0.115025 0.230050 0.685851 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O",
"density": 5.875245508477547,
"density_atomic": 0.07052059191800421,
"volume": 765.7337882640995,
"volume_molar": 8.539549365952674,
"formula_full": "Ba12 Mn10 O32",
"formula_reduced": "Ba6Mn5O16",
"formula_anonymous": "A5B6C16",
"energy_above_hull": 2.6727502972924646,
"spacegroup": 64
},
{
"id": "jvasp-26",
"created_at": "2022-09-04T14:35:53.904287Z",
"updated_at": "2022-09-04T14:35:53.904312Z",
"structure_string": "P4\n1.0\n1.670562 5.358323 -0.000000\n-1.670562 5.358323 -0.000000\n0.000000 0.000000 4.469533\nP\n4\ndirect\n0.100703 0.100703 0.082184 P\n0.600704 0.600704 0.417819 P\n0.399297 0.399297 0.582182 P\n0.899297 0.899297 0.917816 P\n",
"nsites": 4,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 2.5711026394391028,
"density_atomic": 0.04998921993544273,
"volume": 80.0172518228069,
"volume_molar": 12.046878842632744,
"formula_full": "P4",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy_above_hull": 0.0002399999999997,
"spacegroup": 64
},
{
"id": "jvasp-12052",
"created_at": "2022-09-04T14:35:53.000939Z",
"updated_at": "2022-09-04T14:35:53.000974Z",
"structure_string": "Co4 Ni2 O12\n1.0\n4.902888 -0.001247 -0.000000\n2.437931 4.236949 -0.000000\n0.000000 -0.000000 8.694688\nCo Ni O\n4 2 12\ndirect\n0.333275 0.333363 0.000000 Co\n0.333275 0.833363 0.500000 Co\n0.666726 0.166636 0.500000 Co\n0.666726 0.666637 0.000000 Co\n0.000000 0.000000 0.000000 Ni\n-0.000000 0.500000 0.500000 Ni\n0.663833 0.335954 0.892713 O\n0.663833 0.000214 0.107287 O\n0.336168 0.664046 0.107287 O\n0.336168 0.499786 0.607287 O\n0.336168 0.164046 0.392713 O\n-0.000000 0.663756 0.892859 O\n0.336168 -0.000215 0.892713 O\n0.663833 0.500214 0.392713 O\n-0.000000 0.336244 0.107141 O\n-0.000000 0.163756 0.607141 O\n-0.000000 0.836245 0.392859 O\n0.663833 0.835954 0.607287 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Ni-O",
"density": 5.010861264657902,
"density_atomic": 0.099643675997697,
"volume": 180.64367677900626,
"volume_molar": 6.043675827595107,
"formula_full": "Co4 Ni2 O12",
"formula_reduced": "Co2NiO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.7981350222222225,
"spacegroup": 64
},
{
"id": "jvasp-43315",
"created_at": "2022-09-04T14:35:55.699393Z",
"updated_at": "2022-09-04T14:35:55.699418Z",
"structure_string": "Li4 Ni4 Sn2 O12\n1.0\n5.150018 0.102134 0.000000\n-2.499768 4.503806 0.000000\n0.000000 0.000000 9.932264\nLi Ni Sn O\n4 4 2 12\ndirect\n0.135326 0.635326 0.750000 Li\n0.364674 0.864674 0.250000 Li\n0.635326 0.135326 0.750000 Li\n0.864674 0.364674 0.250000 Li\n0.162447 0.837554 0.500000 Ni\n0.337553 0.662447 0.000000 Ni\n0.662447 0.337553 0.000000 Ni\n0.837553 0.162446 0.500000 Ni\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.538446 0.173239 0.390038 O\n0.852694 0.852694 0.400812 O\n0.326761 0.961555 0.890038 O\n0.647306 0.647306 0.900811 O\n0.352694 0.352694 0.099189 O\n0.038446 0.673240 0.109962 O\n0.461554 0.826761 0.609962 O\n0.173239 0.538446 0.390038 O\n0.961554 0.326760 0.890038 O\n0.826761 0.461554 0.609962 O\n0.147306 0.147306 0.599189 O\n0.673239 0.038445 0.109962 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ni",
"Sn",
"O"
],
"chemical_system": "Li-Ni-O-Sn",
"density": 4.933249551875585,
"density_atomic": 0.09445646837534956,
"volume": 232.9115239898316,
"volume_molar": 6.3755726458767406,
"formula_full": "Li4 Ni4 Sn2 O12",
"formula_reduced": "Li2Ni2SnO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.8822197727272725,
"spacegroup": 64
},
{
"id": "jvasp-91357",
"created_at": "2022-09-04T14:35:55.902593Z",
"updated_at": "2022-09-04T14:35:55.902608Z",
"structure_string": "Sm4 Sb8\n1.0\n4.377712 -0.005847 0.000000\n-0.091801 4.376753 -0.000000\n-0.000000 0.000000 18.125213\nSm Sb\n4 8\ndirect\n0.643823 0.643823 0.610473 Sm\n0.856177 0.856175 0.110473 Sm\n0.143823 0.143823 0.889526 Sm\n0.356177 0.356176 0.389527 Sm\n0.873179 0.373179 0.250000 Sb\n0.626820 0.126820 0.750000 Sb\n0.126821 0.626820 0.750000 Sb\n0.373180 0.873179 0.250000 Sb\n0.860204 0.860203 0.436059 Sb\n0.639795 0.639795 0.936059 Sb\n0.360204 0.360204 0.063941 Sb\n0.139795 0.139795 0.563941 Sb\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sm",
"Sb"
],
"chemical_system": "Sb-Sm",
"density": 7.533604915694296,
"density_atomic": 0.034555013644930445,
"volume": 347.2723270581176,
"volume_molar": 17.427690296639508,
"formula_full": "Sm4 Sb8",
"formula_reduced": "SmSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.136373691666667,
"spacegroup": 64
},
{
"id": "jvasp-86700",
"created_at": "2022-09-04T14:35:59.034479Z",
"updated_at": "2022-09-04T14:35:59.034504Z",
"structure_string": "Nb4 Se8\n1.0\n3.497786 0.000000 0.000000\n-1.748893 3.018857 0.000000\n0.000000 0.000000 25.650955\nNb Se\n4 8\ndirect\n0.250180 0.000286 0.376630 Nb\n0.249893 -0.000286 0.623370 Nb\n0.749821 -0.000286 0.876630 Nb\n0.750108 0.000286 0.123370 Nb\n0.084156 0.668414 0.189044 Se\n0.415743 0.331587 0.810957 Se\n0.916364 0.332686 0.557984 Se\n0.416324 0.332686 0.942016 Se\n0.584259 0.668414 0.310956 Se\n0.083639 0.667315 0.057984 Se\n0.915846 0.331587 0.689044 Se\n0.583678 0.667315 0.442016 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Nb",
"Se"
],
"chemical_system": "Nb-Se",
"density": 6.150961146563751,
"density_atomic": 0.04430389719777338,
"volume": 270.85653314948314,
"volume_molar": 13.592801403264946,
"formula_full": "Nb4 Se8",
"formula_reduced": "NbSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.1622220444444444,
"spacegroup": 64
}
]
}