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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3569",
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"results": [
{
"id": "jvasp-92557",
"created_at": "2022-09-04T14:36:13.548807Z",
"updated_at": "2022-09-04T14:36:13.548825Z",
"structure_string": "Y1 Si2 Ir2\n1.0\n4.163717 0.000000 0.000000\n0.000000 4.163717 0.000000\n-2.081858 -2.081858 5.040673\nY Si Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.750000 0.500000 Si\n0.750000 0.250000 0.500000 Si\n0.629509 0.629509 0.259017 Ir\n0.370491 0.370491 0.740982 Ir\n",
"nsites": 5,
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"elements": [
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"Ir"
],
"chemical_system": "Ir-Si-Y",
"density": 10.061738568003072,
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"volume": 87.38782534160791,
"volume_molar": 10.525235698349158,
"formula_full": "Y1 Si2 Ir2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-57745",
"created_at": "2022-09-04T14:38:27.812100Z",
"updated_at": "2022-09-04T14:38:27.812110Z",
"structure_string": "Y2 Si4 Ir4\n1.0\n4.147530 -0.000000 -0.000000\n0.000000 4.147530 -0.000000\n0.000000 0.000000 9.852355\nY Si Ir\n2 4 4\ndirect\n0.000000 0.500000 0.253749 Y\n0.500000 0.000000 0.746250 Y\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.131002 Si\n0.000000 0.500000 0.868998 Si\n0.500000 0.000000 0.371591 Ir\n0.000000 0.500000 0.628408 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Ir-Si-Y",
"density": 10.37611634065871,
"density_atomic": 0.05900392141839666,
"volume": 169.4802609658776,
"volume_molar": 10.206339875780484,
"formula_full": "Y2 Si4 Ir4",
"formula_reduced": "Y(SiIr)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 129
},
{
"id": "jvasp-15425",
"created_at": "2022-09-04T14:37:01.177168Z",
"updated_at": "2022-09-04T14:37:01.177185Z",
"structure_string": "Y1 Si2 Ir2\n1.0\n3.831446 0.000000 -1.450084\n-0.548812 3.791937 -1.450084\n-0.007734 -0.008934 5.766376\nY Si Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.621254 0.621254 0.242507 Si\n0.378748 0.378748 0.757497 Si\n0.250001 0.750001 0.500002 Ir\n0.750002 0.250001 0.500002 Ir\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Si",
"Ir"
],
"chemical_system": "Ir-Si-Y",
"density": 10.507807498652003,
"density_atomic": 0.059752784912465835,
"volume": 83.67810818064285,
"volume_molar": 10.078426919886775,
"formula_full": "Y1 Si2 Ir2",
"formula_reduced": "Y(SiIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.715396969999999,
"spacegroup": 139
},
{
"id": "jvasp-4693",
"created_at": "2022-09-04T14:38:06.097818Z",
"updated_at": "2022-09-04T14:38:06.097841Z",
"structure_string": "Yb4 Si4 Ir4\n1.0\n4.303432 0.000000 0.000000\n0.000000 6.912255 0.000000\n0.000000 0.000000 7.165261\nYb Si Ir\n4 4 4\ndirect\n0.250000 0.826575 0.507981 Yb\n0.750000 0.326575 0.992019 Yb\n0.250000 0.673426 0.007981 Yb\n0.750000 0.173426 0.492019 Yb\n0.750000 0.609944 0.311077 Si\n0.750000 0.890057 0.811077 Si\n0.250000 0.390057 0.688923 Si\n0.250000 0.109944 0.188923 Si\n0.750000 0.924626 0.151604 Ir\n0.750000 0.575375 0.651604 Ir\n0.250000 0.424626 0.348396 Ir\n0.250000 0.075375 0.848396 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Yb",
"Si",
"Ir"
],
"chemical_system": "Ir-Si-Yb",
"density": 12.25782034149162,
"density_atomic": 0.05630079602338713,
"volume": 213.14085852383414,
"volume_molar": 10.69636876448146,
"formula_full": "Yb4 Si4 Ir4",
"formula_reduced": "YbSiIr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7574434666666665,
"spacegroup": 62
},
{
"id": "jvasp-21479",
"created_at": "2022-09-04T14:38:31.818004Z",
"updated_at": "2022-09-04T14:38:31.818033Z",
"structure_string": "Sm12 Ir4\n1.0\n6.442771 0.000000 0.000000\n-0.000000 7.266929 0.000000\n0.000000 0.000000 9.588169\nSm Ir\n12 4\ndirect\n0.138059 0.033131 0.250000 Sm\n0.638059 0.466869 0.750000 Sm\n0.361941 0.533131 0.250000 Sm\n0.861941 0.966869 0.750000 Sm\n0.670226 0.177979 0.062973 Sm\n0.170226 0.322021 0.937027 Sm\n0.829774 0.677980 0.437027 Sm\n0.329774 0.822021 0.562973 Sm\n0.329774 0.822021 0.937027 Sm\n0.829774 0.677980 0.062973 Sm\n0.170226 0.322021 0.562973 Sm\n0.670226 0.177979 0.437027 Sm\n0.941686 0.382118 0.250000 Ir\n0.441686 0.117882 0.750000 Ir\n0.558314 0.882118 0.250000 Ir\n0.058314 0.617882 0.750000 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sm",
"Ir"
],
"chemical_system": "Ir-Sm",
"density": 9.518342376766956,
"density_atomic": 0.035641887100093674,
"volume": 448.9100129593853,
"volume_molar": 16.896245541342765,
"formula_full": "Sm12 Ir4",
"formula_reduced": "Sm3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 2.16175193125,
"spacegroup": 62
},
{
"id": "jvasp-37612",
"created_at": "2022-09-04T14:38:02.719135Z",
"updated_at": "2022-09-04T14:38:02.719162Z",
"structure_string": "Tb1 Sm1 Ir2\n1.0\n-0.000000 3.466548 3.466548\n3.466548 0.000000 3.466548\n3.466548 3.466548 -0.000000\nTb Sm Ir\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Tb\n0.250000 0.250000 0.250000 Sm\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Sm",
"Ir"
],
"chemical_system": "Ir-Sm-Tb",
"density": 13.826468101215251,
"density_atomic": 0.04801073353248269,
"volume": 83.31470289437911,
"volume_molar": 12.54332170518826,
"formula_full": "Tb1 Sm1 Ir2",
"formula_reduced": "TbSmIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.839337368749999,
"spacegroup": 225
},
{
"id": "jvasp-37237",
"created_at": "2022-09-04T14:37:56.180892Z",
"updated_at": "2022-09-04T14:37:56.180915Z",
"structure_string": "Sm1 Y1 Ir2\n1.0\n0.000000 3.462367 3.462367\n3.462367 0.000000 3.462367\n3.462367 3.462367 0.000000\nSm Y Ir\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Sm\n0.750001 0.750001 0.750001 Y\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Y",
"Ir"
],
"chemical_system": "Ir-Sm-Y",
"density": 12.476002178609804,
"density_atomic": 0.04818487050629818,
"volume": 83.01360900154677,
"volume_molar": 12.497990960072942,
"formula_full": "Sm1 Y1 Ir2",
"formula_reduced": "SmYIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.20485913125,
"spacegroup": 225
},
{
"id": "jvasp-40291",
"created_at": "2022-09-04T14:37:46.328865Z",
"updated_at": "2022-09-04T14:37:46.328885Z",
"structure_string": "Sm2 Zn1 Ir1\n1.0\n0.000000 3.545186 3.545186\n3.545186 0.000000 3.545186\n3.545186 3.545186 0.000000\nSm Zn Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500001 0.500001 0.500001 Sm\n0.750001 0.750001 0.750001 Zn\n0.250001 0.250001 0.250001 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Zn",
"Ir"
],
"chemical_system": "Ir-Sm-Zn",
"density": 10.40412195332165,
"density_atomic": 0.04488620812812226,
"volume": 89.11423278576981,
"volume_molar": 13.416461338882819,
"formula_full": "Sm2 Zn1 Ir1",
"formula_reduced": "Sm2ZnIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3695498125,
"spacegroup": 225
},
{
"id": "jvasp-20572",
"created_at": "2022-09-04T14:38:13.831023Z",
"updated_at": "2022-09-04T14:38:13.831049Z",
"structure_string": "Sn2 Ir1\n1.0\n3.947696 0.000000 2.279203\n1.315899 3.721924 2.279203\n-0.000000 -0.000000 4.558407\nSn Ir\n2 1\ndirect\n0.750001 0.749999 0.749999 Sn\n0.250000 0.250000 0.250000 Sn\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sn",
"Ir"
],
"chemical_system": "Ir-Sn",
"density": 10.651885064147542,
"density_atomic": 0.04479163892155891,
"volume": 66.97678567318628,
"volume_molar": 13.444787699209307,
"formula_full": "Sn2 Ir1",
"formula_reduced": "Sn2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 1.528944833333333,
"spacegroup": 225
},
{
"id": "jvasp-20385",
"created_at": "2022-09-04T14:37:32.343305Z",
"updated_at": "2022-09-04T14:37:32.343326Z",
"structure_string": "Sn2 Ir1\n1.0\n3.947696 0.000000 2.279203\n1.315899 3.721924 2.279203\n-0.000000 -0.000000 4.558407\nSn Ir\n2 1\ndirect\n0.750001 0.749999 0.749999 Sn\n0.250000 0.250000 0.250000 Sn\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 3,
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"elements": [
"Sn",
"Ir"
],
"chemical_system": "Ir-Sn",
"density": 10.651885064147542,
"density_atomic": 0.04479163892155891,
"volume": 66.97678567318628,
"volume_molar": 13.444787699209307,
"formula_full": "Sn2 Ir1",
"formula_reduced": "Sn2Ir",
"formula_anonymous": "AB2",
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"spacegroup": 225
},
{
"id": "jvasp-17585",
"created_at": "2022-09-04T14:38:28.739821Z",
"updated_at": "2022-09-04T14:38:28.739850Z",
"structure_string": "Sn2 Ir2\n1.0\n2.015053 -3.490174 -0.000000\n2.015053 3.490174 0.000000\n0.000000 0.000000 5.680631\nSn Ir\n2 2\ndirect\n0.666666 0.333332 0.250000 Sn\n0.333332 0.666666 0.750000 Sn\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ir-Sn",
"density": 12.92341831605913,
"density_atomic": 0.0500610395536994,
"volume": 79.90245579517553,
"volume_molar": 12.029595896705619,
"formula_full": "Sn2 Ir2",
"formula_reduced": "SnIr",
"formula_anonymous": "AB",
"energy_above_hull": 1.5631813999999995,
"spacegroup": 194
},
{
"id": "jvasp-59743",
"created_at": "2022-09-04T14:38:35.907591Z",
"updated_at": "2022-09-04T14:38:35.907611Z",
"structure_string": "Sn14 Ir6\n1.0\n7.793835 -0.000000 -2.755537\n-3.896917 6.749659 -2.755537\n0.000000 0.000000 8.266610\nSn Ir\n14 6\ndirect\n0.670649 0.670650 0.670649 Sn\n0.329350 0.000000 -0.000000 Sn\n0.329350 0.329350 0.329350 Sn\n0.250000 0.500000 0.750000 Sn\n0.749999 0.500000 0.249999 Sn\n0.499999 0.750000 0.249999 Sn\n0.749999 0.250000 0.499999 Sn\n0.500000 0.250000 0.750000 Sn\n-0.000000 0.329350 -0.000000 Sn\n0.000000 0.000000 0.329350 Sn\n-0.000000 0.670650 -0.000000 Sn\n0.000000 0.000000 0.670650 Sn\n0.670649 0.000000 -0.000000 Sn\n0.250000 0.750000 0.499999 Sn\n0.340809 0.000000 0.340809 Ir\n-0.000000 0.659191 0.659191 Ir\n0.340809 0.340809 -0.000000 Ir\n0.659190 0.659191 -0.000001 Ir\n0.659191 0.000000 0.659191 Ir\n-0.000000 0.340809 0.340809 Ir\n",
"nsites": 20,
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"elements": [
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"volume": 434.87104170743936,
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"formula_full": "Sn14 Ir6",
"formula_reduced": "Sn7Ir3",
"formula_anonymous": "A3B7",
"energy_above_hull": 1.98869352,
"spacegroup": 229
}
]
}