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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1067",
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"results": [
{
"id": "jvasp-51727",
"created_at": "2022-09-04T14:37:27.130181Z",
"updated_at": "2022-09-04T14:37:27.130212Z",
"structure_string": "Li8 H4 I4 O4\n1.0\n5.527022 -0.000000 0.000000\n0.000000 6.646584 0.000000\n0.000000 0.000000 10.182637\nLi H I O\n8 4 4 4\ndirect\n0.000453 0.562271 0.889543 Li\n0.499546 0.937728 0.389543 Li\n0.500453 0.437729 0.110457 Li\n-0.000453 0.062271 0.610457 Li\n-0.000453 0.437729 0.110457 Li\n0.500453 0.062271 0.610457 Li\n0.499546 0.562271 0.889543 Li\n0.000453 0.937728 0.389543 Li\n0.750000 0.275176 0.946902 H\n0.750000 0.224824 0.446902 H\n0.250000 0.724824 0.053098 H\n0.250000 0.775176 0.553098 H\n0.250000 0.417441 0.671421 I\n0.250000 0.082559 0.171421 I\n0.750000 0.582559 0.328579 I\n0.750000 0.917440 0.828579 I\n0.250000 0.914678 0.521137 O\n0.250000 0.585322 0.021137 O\n0.750000 0.085322 0.478863 O\n0.750000 0.414678 0.978864 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"H",
"I",
"O"
],
"chemical_system": "H-I-Li-O",
"density": 2.801877207452289,
"density_atomic": 0.05346628914449958,
"volume": 374.06747915396573,
"volume_molar": 11.263435066017736,
"formula_full": "Li8 H4 I4 O4",
"formula_reduced": "Li2HIO",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.9832799549999998,
"spacegroup": 62
},
{
"id": "jvasp-19038",
"created_at": "2022-09-04T14:37:27.185951Z",
"updated_at": "2022-09-04T14:37:27.185962Z",
"structure_string": "Sm4 Rh4 O12\n1.0\n5.315270 -0.000000 0.000000\n0.000000 5.864323 0.000000\n0.000000 0.000000 7.726622\nSm Rh O\n4 4 12\ndirect\n0.471370 0.581882 0.750000 Sm\n0.971370 0.918117 0.250000 Sm\n0.028630 0.081882 0.750000 Sm\n0.528630 0.418118 0.250000 Sm\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.878865 0.458165 0.750000 O\n0.378865 0.041835 0.250000 O\n0.820814 0.193184 0.056172 O\n0.320814 0.306816 0.943828 O\n0.679186 0.693184 0.443828 O\n0.320814 0.306816 0.556172 O\n0.179186 0.806816 0.943828 O\n0.679186 0.693184 0.056172 O\n0.121135 0.541834 0.250000 O\n0.820814 0.193184 0.443828 O\n0.179186 0.806816 0.556172 O\n0.621135 0.958165 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sm",
"Rh",
"O"
],
"chemical_system": "O-Rh-Sm",
"density": 8.308507478039353,
"density_atomic": 0.08304186922546031,
"volume": 240.84236285312423,
"volume_molar": 7.251933050362546,
"formula_full": "Sm4 Rh4 O12",
"formula_reduced": "SmRhO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.009502475,
"spacegroup": 62
},
{
"id": "jvasp-59786",
"created_at": "2022-09-04T14:37:27.344327Z",
"updated_at": "2022-09-04T14:37:27.344354Z",
"structure_string": "Pr4 Sn4 Pd4\n1.0\n4.740924 -0.000000 0.000000\n0.000000 7.566254 0.000000\n0.000000 0.000000 8.036219\nPr Sn Pd\n4 4 4\ndirect\n0.250000 0.488119 0.701826 Pr\n0.749999 0.511880 0.298174 Pr\n0.250000 0.988119 0.798174 Pr\n0.749999 0.011880 0.201826 Pr\n0.250000 0.810811 0.412082 Sn\n0.749999 0.689188 0.912082 Sn\n0.250000 0.310812 0.087918 Sn\n0.749999 0.189188 0.587918 Sn\n0.749999 0.299821 0.916048 Pd\n0.250000 0.200178 0.416048 Pd\n0.749999 0.799821 0.583952 Pd\n0.250000 0.700178 0.083952 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Pr",
"Sn",
"Pd"
],
"chemical_system": "Pd-Pr-Sn",
"density": 8.434108310761065,
"density_atomic": 0.04162800257026132,
"volume": 288.26749445270514,
"volume_molar": 14.466561901055911,
"formula_full": "Pr4 Sn4 Pd4",
"formula_reduced": "PrSnPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8173724166666666,
"spacegroup": 62
},
{
"id": "jvasp-57037",
"created_at": "2022-09-04T14:37:27.358335Z",
"updated_at": "2022-09-04T14:37:27.358363Z",
"structure_string": "Ho4 Cu4 S8\n1.0\n3.940021 0.000000 0.000000\n0.000000 6.251361 0.000000\n0.000000 0.000000 13.320604\nHo Cu S\n4 4 8\ndirect\n0.250279 0.251134 0.133578 Ho\n0.750279 0.248866 0.866422 Ho\n0.249720 0.748866 0.633578 Ho\n0.749720 0.751134 0.366422 Ho\n0.749528 0.372189 0.546765 Cu\n0.249528 0.127811 0.453235 Cu\n0.250472 0.872189 0.953235 Cu\n0.750472 0.627811 0.046765 Cu\n0.249696 0.506101 0.459295 S\n0.750271 0.487553 0.206730 S\n0.250271 0.012447 0.793270 S\n0.249729 0.987553 0.293270 S\n0.250304 0.493898 0.959295 S\n0.749696 0.993898 0.540705 S\n0.749729 0.512447 0.706730 S\n0.750304 0.006101 0.040705 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ho",
"Cu",
"S"
],
"chemical_system": "Cu-Ho-S",
"density": 5.923736852118615,
"density_atomic": 0.04876665297042884,
"volume": 328.09305181764455,
"volume_molar": 12.348890877648932,
"formula_full": "Ho4 Cu4 S8",
"formula_reduced": "HoCuS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8194665041666667,
"spacegroup": 62
},
{
"id": "jvasp-12511",
"created_at": "2022-09-04T14:37:27.476817Z",
"updated_at": "2022-09-04T14:37:27.476847Z",
"structure_string": "Pb4 Cl8\n1.0\n4.549166 0.000000 0.000000\n-0.000000 7.617689 0.000000\n0.000000 0.000000 9.130109\nPb Cl\n4 8\ndirect\n0.250000 0.762426 0.595897 Pb\n0.750001 0.237574 0.404103 Pb\n0.250000 0.262426 0.904103 Pb\n0.750001 0.737574 0.095897 Pb\n0.250000 0.980806 0.338253 Cl\n0.750001 0.019194 0.661747 Cl\n0.250000 0.480806 0.161747 Cl\n0.750001 0.519194 0.838253 Cl\n0.750001 0.142051 0.077217 Cl\n0.250000 0.857949 0.922784 Cl\n0.750001 0.642051 0.422784 Cl\n0.250000 0.357949 0.577217 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pb",
"Cl"
],
"chemical_system": "Cl-Pb",
"density": 5.838327624431972,
"density_atomic": 0.03792715450527069,
"volume": 316.3960006103905,
"volume_molar": 15.878177096473479,
"formula_full": "Pb4 Cl8",
"formula_reduced": "PbCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-49598",
"created_at": "2022-09-04T14:37:27.592329Z",
"updated_at": "2022-09-04T14:37:27.592357Z",
"structure_string": "Zn4 Sn4 O12\n1.0\n5.362104 0.000000 0.000000\n-0.000000 5.373146 0.000000\n0.000000 0.000000 7.915966\nZn Sn O\n4 4 12\ndirect\n0.008644 0.027770 0.250000 Zn\n0.508644 0.472231 0.750000 Zn\n0.491355 0.527770 0.250000 Zn\n0.991355 0.972231 0.750000 Zn\n0.500000 0.000000 0.000000 Sn\n0.000000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.167475 0.171861 0.929678 O\n0.667475 0.328139 0.070323 O\n0.332524 0.671862 0.929678 O\n0.832524 0.828139 0.070323 O\n0.167475 0.171861 0.570323 O\n0.373810 0.904948 0.250000 O\n0.126190 0.404948 0.250000 O\n0.626189 0.095053 0.750000 O\n0.332524 0.671862 0.570323 O\n0.873810 0.595053 0.750000 O\n0.667475 0.328139 0.429678 O\n0.832524 0.828139 0.429678 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"O"
],
"chemical_system": "O-Sn-Zn",
"density": 6.760029905435447,
"density_atomic": 0.08769244943160225,
"volume": 228.06980680360016,
"volume_molar": 6.8673423983864295,
"formula_full": "Zn4 Sn4 O12",
"formula_reduced": "ZnSnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.96400052,
"spacegroup": 62
},
{
"id": "jvasp-59650",
"created_at": "2022-09-04T14:37:27.667200Z",
"updated_at": "2022-09-04T14:37:27.667210Z",
"structure_string": "Nd4 Sn4 Pt4\n1.0\n4.648476 -0.000000 0.000000\n-0.000000 7.452304 0.000000\n0.000000 0.000000 8.122536\nNd Sn Pt\n4 4 4\ndirect\n0.750001 0.488020 0.804785 Nd\n0.250000 0.011980 0.304785 Nd\n0.750001 0.988019 0.695216 Nd\n0.250000 0.511980 0.195215 Nd\n0.250000 0.677094 0.584211 Sn\n0.250000 0.177094 0.915790 Sn\n0.750001 0.322906 0.415790 Sn\n0.750001 0.822905 0.084210 Sn\n0.250000 0.787180 0.909503 Pt\n0.250000 0.287180 0.590498 Pt\n0.750001 0.712819 0.409503 Pt\n0.750001 0.212819 0.090497 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nd",
"Sn",
"Pt"
],
"chemical_system": "Nd-Pt-Sn",
"density": 10.812245586178564,
"density_atomic": 0.042646996005220754,
"volume": 281.37972481182464,
"volume_molar": 14.120902581890604,
"formula_full": "Nd4 Sn4 Pt4",
"formula_reduced": "NdSnPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0341915333333331,
"spacegroup": 62
},
{
"id": "jvasp-13775",
"created_at": "2022-09-04T14:37:27.697859Z",
"updated_at": "2022-09-04T14:37:27.697890Z",
"structure_string": "Sc4 Fe4 Si4\n1.0\n4.070571 -0.000000 0.000000\n0.000000 6.544054 0.000000\n0.000000 0.000000 6.627483\nSc Fe Si\n4 4 4\ndirect\n0.750000 0.515067 0.808849 Sc\n0.250000 0.984932 0.308850 Sc\n0.750000 0.015067 0.691150 Sc\n0.250000 0.484933 0.191150 Sc\n0.250000 0.653234 0.562018 Fe\n0.250000 0.153235 0.937981 Fe\n0.750000 0.846765 0.062018 Fe\n0.750000 0.346765 0.437981 Fe\n0.250000 0.799202 0.892016 Si\n0.250000 0.299202 0.607983 Si\n0.750000 0.200797 0.107983 Si\n0.750000 0.700797 0.392017 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"Fe",
"Si"
],
"chemical_system": "Fe-Sc-Si",
"density": 4.849147466345899,
"density_atomic": 0.06797205733004041,
"volume": 176.54313362524294,
"volume_molar": 8.859730007522518,
"formula_full": "Sc4 Fe4 Si4",
"formula_reduced": "ScFeSi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.48166645,
"spacegroup": 62
},
{
"id": "jvasp-9075",
"created_at": "2022-09-04T14:37:27.746306Z",
"updated_at": "2022-09-04T14:37:27.746336Z",
"structure_string": "Sr8 Si4\n1.0\n5.129226 0.000000 0.000000\n0.000000 8.051020 0.000000\n0.000000 0.000000 9.564604\nSr Si\n8 4\ndirect\n0.750001 0.980907 0.824131 Sr\n0.250000 0.019093 0.175869 Sr\n0.750001 0.480907 0.675869 Sr\n0.250000 0.519093 0.324131 Sr\n0.250000 0.652236 0.922065 Sr\n0.750001 0.347764 0.077935 Sr\n0.250000 0.152236 0.577935 Sr\n0.750001 0.847764 0.422065 Sr\n0.250000 0.252087 0.897583 Si\n0.750001 0.747913 0.102417 Si\n0.250000 0.752087 0.602417 Si\n0.750001 0.247913 0.397583 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sr",
"Si"
],
"chemical_system": "Si-Sr",
"density": 3.419252738465286,
"density_atomic": 0.030381660872103065,
"volume": 394.975115103684,
"volume_molar": 19.821631165429892,
"formula_full": "Sr8 Si4",
"formula_reduced": "Sr2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 0.440257073333333,
"spacegroup": 62
},
{
"id": "jvasp-34508",
"created_at": "2022-09-04T14:37:27.807202Z",
"updated_at": "2022-09-04T14:37:27.807228Z",
"structure_string": "Ca4 Ir4 O12\n1.0\n5.327900 0.000000 0.000000\n0.000000 5.688492 0.000000\n0.000000 0.000000 7.704272\nCa Ir O\n4 4 12\ndirect\n0.520772 0.066458 0.250000 Ca\n0.479228 0.933542 0.750000 Ca\n0.979228 0.566458 0.250000 Ca\n0.020772 0.433542 0.750000 Ca\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.188039 0.695694 0.945594 O\n0.688039 0.804306 0.445594 O\n0.111269 0.956122 0.250000 O\n0.188039 0.695694 0.554406 O\n0.688039 0.804306 0.054406 O\n0.611269 0.543878 0.750000 O\n0.811961 0.304306 0.445594 O\n0.388731 0.456122 0.250000 O\n0.311961 0.195694 0.554406 O\n0.311961 0.195694 0.945594 O\n0.811961 0.304306 0.054406 O\n0.888731 0.043878 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Ir",
"O"
],
"chemical_system": "Ca-Ir-O",
"density": 7.973276533721774,
"density_atomic": 0.08565351143208393,
"volume": 233.4988918213625,
"volume_molar": 7.030815969261289,
"formula_full": "Ca4 Ir4 O12",
"formula_reduced": "CaIrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.055014404,
"spacegroup": 62
},
{
"id": "jvasp-12461",
"created_at": "2022-09-04T14:37:27.952728Z",
"updated_at": "2022-09-04T14:37:27.952750Z",
"structure_string": "Sb4 Cl12\n1.0\n6.304463 -0.000000 0.000000\n0.000000 7.819758 0.000000\n0.000000 0.000000 9.093831\nSb Cl\n4 12\ndirect\n0.981231 0.026680 0.750000 Sb\n0.481231 0.473320 0.250000 Sb\n0.518768 0.526680 0.750000 Sb\n0.018769 0.973320 0.250000 Sb\n0.132947 0.180938 0.435456 Cl\n0.632947 0.319062 0.564544 Cl\n0.367053 0.680938 0.064544 Cl\n0.867052 0.819062 0.935456 Cl\n0.652203 0.059540 0.250000 Cl\n0.152204 0.440460 0.750000 Cl\n0.847796 0.559540 0.250000 Cl\n0.347796 0.940460 0.750000 Cl\n0.132947 0.180938 0.064544 Cl\n0.632947 0.319062 0.935456 Cl\n0.367053 0.680938 0.435456 Cl\n0.867052 0.819062 0.564544 Cl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sb",
"Cl"
],
"chemical_system": "Cl-Sb",
"density": 3.3797319367070315,
"density_atomic": 0.035688779033663645,
"volume": 448.3201844733301,
"volume_molar": 16.87404535279725,
"formula_full": "Sb4 Cl12",
"formula_reduced": "SbCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.255622075625,
"spacegroup": 62
},
{
"id": "jvasp-51465",
"created_at": "2022-09-04T14:37:28.092570Z",
"updated_at": "2022-09-04T14:37:28.092602Z",
"structure_string": "In12 Ir4\n1.0\n5.458344 0.000000 0.000000\n-0.000000 7.516119 0.000000\n0.000000 0.000000 8.414564\nIn Ir\n12 4\ndirect\n0.637408 0.329077 0.553322 In\n0.086807 0.489070 0.750000 In\n0.862591 0.829077 0.946678 In\n0.913192 0.510930 0.250000 In\n0.137408 0.170923 0.053322 In\n0.413192 0.989070 0.750000 In\n0.362591 0.670923 0.446678 In\n0.586807 0.010930 0.250000 In\n0.862591 0.829077 0.553322 In\n0.637408 0.329077 0.946678 In\n0.137408 0.170923 0.446678 In\n0.362591 0.670923 0.053322 In\n0.438065 0.372838 0.250000 Ir\n0.561934 0.627162 0.750000 Ir\n0.938064 0.127162 0.750000 Ir\n0.061935 0.872838 0.250000 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"In",
"Ir"
],
"chemical_system": "In-Ir",
"density": 10.325974511501723,
"density_atomic": 0.046348300552051615,
"volume": 345.21222589447797,
"volume_molar": 12.993228852559145,
"formula_full": "In12 Ir4",
"formula_reduced": "In3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 0.7486552525,
"spacegroup": 62
}
]
}