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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1278",
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"results": [
{
"id": "jvasp-12680",
"created_at": "2022-09-04T14:36:52.325445Z",
"updated_at": "2022-09-04T14:36:52.325458Z",
"structure_string": "Ti2 Si4 O12\n1.0\n6.327398 0.018657 -1.655214\n-0.245640 6.322655 1.655214\n-0.000164 0.000158 5.354514\nTi Si O\n2 4 12\ndirect\n0.893116 0.893116 0.250000 Ti\n0.106885 0.106885 0.749999 Ti\n0.785688 0.382612 0.246804 Si\n0.617389 0.214313 0.746804 Si\n0.382612 0.785689 0.253195 Si\n0.214313 0.617389 0.753195 Si\n0.954207 0.186633 0.365390 O\n0.813369 0.045794 0.865390 O\n0.898745 0.619134 0.222070 O\n0.045794 0.813369 0.634609 O\n0.649848 0.366557 0.953125 O\n0.350154 0.633444 0.046874 O\n0.619134 0.898745 0.277929 O\n0.366557 0.649847 0.546874 O\n0.101256 0.380867 0.777929 O\n0.186632 0.954207 0.134609 O\n0.380867 0.101256 0.722070 O\n0.633444 0.350154 0.453125 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 3.100959189202729,
"density_atomic": 0.08402040579701794,
"volume": 214.23367132367332,
"volume_molar": 7.167474023570756,
"formula_full": "Ti2 Si4 O12",
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"formula_anonymous": "AB2C6",
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"spacegroup": 15
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{
"id": "jvasp-12750",
"created_at": "2022-09-04T14:38:14.160115Z",
"updated_at": "2022-09-04T14:38:14.160137Z",
"structure_string": "Na6 Bi2 O8\n1.0\n0.000000 5.733645 -0.018537\n6.747016 0.000000 0.000000\n0.000000 -2.010637 -5.531313\nNa Bi O\n6 2 8\ndirect\n0.250000 0.619076 0.000000 Na\n0.750000 0.602835 0.500000 Na\n0.250000 0.869738 0.500000 Na\n0.750000 0.130262 0.500000 Na\n0.750001 0.380924 0.000000 Na\n0.250000 0.397166 0.500000 Na\n0.250000 0.138319 0.000000 Bi\n0.750001 0.861682 0.000000 Bi\n0.027983 0.350114 0.762105 O\n0.472017 0.350114 0.237894 O\n0.972017 0.649887 0.237895 O\n0.527984 0.649887 0.762106 O\n0.501091 0.102895 0.786867 O\n-0.001091 0.102895 0.213132 O\n0.001090 0.897106 0.786867 O\n0.498909 0.897106 0.213133 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Bi",
"O"
],
"chemical_system": "Bi-Na-O",
"density": 5.300995328276637,
"density_atomic": 0.07468598655779689,
"volume": 214.2302825124785,
"volume_molar": 8.063280727154451,
"formula_full": "Na6 Bi2 O8",
"formula_reduced": "Na3BiO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.0320794125,
"spacegroup": 13
},
{
"id": "jvasp-49155",
"created_at": "2022-09-04T14:38:30.700049Z",
"updated_at": "2022-09-04T14:38:30.700062Z",
"structure_string": "Cd4 Ge4 O12\n1.0\n5.297246 0.000000 0.000000\n-0.000000 5.348195 0.000000\n0.000000 0.000000 7.561181\nCd Ge O\n4 4 12\ndirect\n0.008058 0.964862 0.750000 Cd\n0.508058 0.535139 0.250000 Cd\n0.491943 0.464862 0.750000 Cd\n0.991943 0.035139 0.250000 Cd\n0.000000 0.500000 0.500000 Ge\n0.500000 0.000000 0.500000 Ge\n0.500000 0.000000 0.000000 Ge\n0.000000 0.500000 0.000000 Ge\n0.591037 0.029604 0.750000 O\n0.091036 0.470396 0.250000 O\n0.704923 0.290359 0.048156 O\n0.204923 0.209642 0.951844 O\n0.795078 0.790359 0.451844 O\n0.204923 0.209642 0.548155 O\n0.295078 0.709642 0.951844 O\n0.795078 0.790359 0.048156 O\n0.408964 0.970397 0.250000 O\n0.704923 0.290359 0.451844 O\n0.295078 0.709642 0.548155 O\n0.908965 0.529605 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Ge",
"O"
],
"chemical_system": "Cd-Ge-O",
"density": 7.226195310172564,
"density_atomic": 0.09336476017113479,
"volume": 214.21358511863153,
"volume_molar": 6.450121811443203,
"formula_full": "Cd4 Ge4 O12",
"formula_reduced": "CdGeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.0071492400000002,
"spacegroup": 62
},
{
"id": "jvasp-14314",
"created_at": "2022-09-04T14:37:08.630138Z",
"updated_at": "2022-09-04T14:37:08.630168Z",
"structure_string": "Dy4 Mn4 Si4\n1.0\n4.135306 0.000000 0.000000\n-0.000000 6.987560 0.000000\n0.000000 0.000000 7.413325\nDy Mn Si\n4 4 4\ndirect\n0.250000 0.002627 0.812911 Dy\n0.750001 0.997373 0.187088 Dy\n0.250000 0.502627 0.687088 Dy\n0.750001 0.497373 0.312911 Dy\n0.750001 0.859383 0.560885 Mn\n0.250000 0.140617 0.439115 Mn\n0.750001 0.359383 0.939114 Mn\n0.250000 0.640617 0.060885 Mn\n0.250000 0.291828 0.108133 Si\n0.750001 0.708172 0.891867 Si\n0.250000 0.791828 0.391867 Si\n0.750001 0.208172 0.608132 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Mn",
"Si"
],
"chemical_system": "Dy-Mn-Si",
"density": 7.613002865060413,
"density_atomic": 0.05601895517864166,
"volume": 214.21320625728555,
"volume_molar": 10.750184006102385,
"formula_full": "Dy4 Mn4 Si4",
"formula_reduced": "DyMnSi",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-112866",
"created_at": "2022-09-04T14:38:44.322832Z",
"updated_at": "2022-09-04T14:38:44.322864Z",
"structure_string": "Tb4 Ru8\n1.0\n5.260089 0.000000 0.000000\n-2.630045 4.555371 0.000000\n-0.000000 -0.000000 8.939122\nTb Ru\n4 8\ndirect\n0.333333 0.666667 0.432991 Tb\n0.666666 0.333333 0.567009 Tb\n0.666666 0.333333 0.932991 Tb\n0.333333 0.666667 0.067009 Tb\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.829526 0.170474 0.250000 Ru\n0.829526 0.659052 0.250000 Ru\n0.340947 0.170474 0.250000 Ru\n0.170473 0.829526 0.750000 Ru\n0.170473 0.340948 0.750000 Ru\n0.659052 0.829526 0.750000 Ru\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"Ru"
],
"chemical_system": "Ru-Tb",
"density": 11.196523399847774,
"density_atomic": 0.056023409579306134,
"volume": 214.19617424414216,
"volume_molar": 10.749329262930923,
"formula_full": "Tb4 Ru8",
"formula_reduced": "TbRu2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.9718098,
"spacegroup": 194
},
{
"id": "jvasp-30755",
"created_at": "2022-09-04T14:38:05.163717Z",
"updated_at": "2022-09-04T14:38:05.163747Z",
"structure_string": "Mg2 Sn4 O10\n1.0\n3.973856 -0.000000 -0.000000\n-1.986927 5.228056 0.000000\n-0.000000 -0.000000 10.309393\nMg Sn O\n2 4 10\ndirect\n0.812446 0.624890 0.750000 Mg\n0.187555 0.375112 0.250000 Mg\n0.134986 0.269972 0.567208 Sn\n0.865016 0.730029 0.432791 Sn\n0.865016 0.730029 0.067209 Sn\n0.134986 0.269972 0.932792 Sn\n0.772443 0.544884 0.250000 O\n0.227559 0.455117 0.750000 O\n0.304751 0.609499 0.065657 O\n0.695252 0.390502 0.934343 O\n0.695252 0.390502 0.565657 O\n0.304751 0.609499 0.434342 O\n0.948056 0.896110 0.615490 O\n0.051945 0.103889 0.384510 O\n0.948056 0.896110 0.884510 O\n0.051945 0.103889 0.115491 O\n",
"nsites": 16,
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"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 5.298666438510124,
"density_atomic": 0.07470239585165259,
"volume": 214.18322421376587,
"volume_molar": 8.061509529037114,
"formula_full": "Mg2 Sn4 O10",
"formula_reduced": "MgSn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.49671624375,
"spacegroup": 63
},
{
"id": "jvasp-85349",
"created_at": "2022-09-04T14:35:42.870302Z",
"updated_at": "2022-09-04T14:35:42.870312Z",
"structure_string": "Y3 Pd3 Pb3\n1.0\n7.935609 0.000000 0.000000\n-3.967804 6.872438 0.000000\n-0.000000 -0.000000 3.927193\nY Pd Pb\n3 3 3\ndirect\n0.276078 0.276078 0.000000 Y\n0.723922 -0.000000 0.000000 Y\n0.000000 0.723923 0.000000 Y\n0.000000 0.000000 0.500000 Pd\n0.666667 0.333333 0.000000 Pd\n0.333333 0.666667 0.000000 Pd\n0.397750 -0.000000 0.500000 Pb\n0.602251 0.602250 0.500000 Pb\n0.000000 0.397750 0.500000 Pb\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Y",
"Pd",
"Pb"
],
"chemical_system": "Pb-Pd-Y",
"density": 9.36247758902901,
"density_atomic": 0.04202126988090026,
"volume": 214.1772494146049,
"volume_molar": 14.33117270627087,
"formula_full": "Y3 Pd3 Pb3",
"formula_reduced": "YPdPb",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2236306566666668,
"spacegroup": 189
},
{
"id": "jvasp-106457",
"created_at": "2022-09-04T14:36:46.622637Z",
"updated_at": "2022-09-04T14:36:46.622656Z",
"structure_string": "Rb2 Tl2 F6\n1.0\n5.816028 -0.000000 3.357885\n1.938676 5.483404 3.357885\n-0.000000 -0.000000 6.715771\nRb Tl F\n2 2 6\ndirect\n0.750001 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.768964 0.231036 0.231037 F\n0.231036 0.231036 0.768964 F\n0.231037 0.768963 0.768964 F\n0.231037 0.768963 0.231037 F\n0.768964 0.231036 0.768964 F\n0.768965 0.768963 0.231037 F\n",
"nsites": 10,
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"elements": [
"Rb",
"Tl",
"F"
],
"chemical_system": "F-Rb-Tl",
"density": 5.37828186738757,
"density_atomic": 0.046690377794287,
"volume": 214.17689195103478,
"volume_molar": 12.898033908684424,
"formula_full": "Rb2 Tl2 F6",
"formula_reduced": "RbTlF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-85739",
"created_at": "2022-09-04T14:35:47.281780Z",
"updated_at": "2022-09-04T14:35:47.281805Z",
"structure_string": "Sm3 In3 Pt3\n1.0\n8.315379 -1.876837 -1.197191\n-6.014712 7.954258 -0.059171\n-0.496587 -0.350102 4.040340\nSm In Pt\n3 3 3\ndirect\n-0.034962 0.672233 0.649289 Sm\n0.690232 -0.000003 0.011620 Sm\n0.289964 0.234980 -0.188160 Sm\n0.085070 0.417428 0.709021 In\n0.550962 0.642238 0.442170 In\n0.429987 0.075932 0.381713 In\n-0.053160 -0.108819 0.140154 Pt\n0.754050 0.347777 0.043636 Pt\n0.287858 0.718234 0.310561 Pt\n",
"nsites": 9,
"nelements": 3,
"elements": [
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"In",
"Pt"
],
"chemical_system": "In-Pt-Sm",
"density": 10.706660146648797,
"density_atomic": 0.04202629013141417,
"volume": 214.15166487114223,
"volume_molar": 14.329460776026288,
"formula_full": "Sm3 In3 Pt3",
"formula_reduced": "SmInPt",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7886267483333335,
"spacegroup": 8
},
{
"id": "jvasp-41532",
"created_at": "2022-09-04T14:37:45.019394Z",
"updated_at": "2022-09-04T14:37:45.019419Z",
"structure_string": "Tm4 Mg2 Ge4\n1.0\n7.161448 0.000000 0.000000\n0.000000 7.161448 0.000000\n0.000000 0.000000 4.175597\nTm Mg Ge\n4 2 4\ndirect\n0.176874 0.323126 0.500000 Tm\n0.323126 0.823127 0.500000 Tm\n0.676874 0.176874 0.500000 Tm\n0.823127 0.676874 0.500000 Tm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.125432 0.625432 0.000000 Ge\n0.374568 0.125432 0.000000 Ge\n0.625432 0.874568 0.000000 Ge\n0.874568 0.374568 0.000000 Ge\n",
"nsites": 10,
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"elements": [
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"Mg",
"Ge"
],
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"density": 7.869642692271691,
"density_atomic": 0.04669600614785805,
"volume": 214.15107682520085,
"volume_molar": 12.896479285469333,
"formula_full": "Tm4 Mg2 Ge4",
"formula_reduced": "Tm2MgGe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5824318899999998,
"spacegroup": 127
},
{
"id": "jvasp-14060",
"created_at": "2022-09-04T14:36:54.279300Z",
"updated_at": "2022-09-04T14:36:54.279317Z",
"structure_string": "Yb4 Cd2 Pd4\n1.0\n7.503841 0.000000 0.000000\n0.000000 7.503841 -0.000000\n0.000000 -0.000000 3.803043\nYb Cd Pd\n4 2 4\ndirect\n0.334710 0.834710 0.500000 Yb\n0.834710 0.665290 0.500000 Yb\n0.165290 0.334710 0.500000 Yb\n0.665290 0.165290 0.500000 Yb\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.365535 0.134465 0.000000 Pd\n0.865535 0.365535 0.000000 Pd\n0.134465 0.634465 0.000000 Pd\n0.634465 0.865535 0.000000 Pd\n",
"nsites": 10,
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"elements": [
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],
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"density": 10.411596122440073,
"density_atomic": 0.04669834806322971,
"volume": 214.14033717980706,
"volume_molar": 12.895832528906597,
"formula_full": "Yb4 Cd2 Pd4",
"formula_reduced": "Yb2CdPd2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-23811",
"created_at": "2022-09-04T14:37:36.571965Z",
"updated_at": "2022-09-04T14:37:36.571981Z",
"structure_string": "Ho4 Si4 Ru4\n1.0\n4.337926 0.000000 0.000000\n0.000000 6.965247 0.000000\n0.000000 0.000000 7.087250\nHo Si Ru\n4 4 4\ndirect\n0.250000 0.985011 0.813268 Ho\n0.750001 0.014990 0.186732 Ho\n0.250000 0.485010 0.686732 Ho\n0.750001 0.514990 0.313268 Ho\n0.250000 0.303440 0.106408 Si\n0.750001 0.696561 0.893592 Si\n0.250000 0.803440 0.393592 Si\n0.750001 0.196561 0.606408 Si\n0.750001 0.845407 0.566843 Ru\n0.250000 0.154593 0.433157 Ru\n0.750001 0.345407 0.933157 Ru\n0.250000 0.654594 0.066843 Ru\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ho",
"Si",
"Ru"
],
"chemical_system": "Ho-Ru-Si",
"density": 9.12193051343426,
"density_atomic": 0.05603828458015151,
"volume": 214.13931725259025,
"volume_molar": 10.746475922878291,
"formula_full": "Ho4 Si4 Ru4",
"formula_reduced": "HoSiRu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.402621555555556,
"spacegroup": 62
}
]
}