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{
"id": "jvasp-92193",
"created_at": "2022-09-04T14:36:12.014887Z",
"updated_at": "2022-09-04T14:36:12.014912Z",
"structure_string": "Rb1 Y1 Mg6\n1.0\n7.019341 -0.000253 0.000000\n-3.509889 6.078801 0.000000\n0.000000 0.000000 5.339966\nRb Y Mg\n1 1 6\ndirect\n0.416651 0.083349 0.750001 Rb\n0.083334 0.416666 0.250000 Y\n0.049730 0.899867 0.250000 Mg\n0.600132 0.450270 0.250000 Mg\n0.600170 0.899830 0.250000 Mg\n0.414207 0.582159 0.750001 Mg\n0.917841 0.085793 0.750001 Mg\n0.917933 0.582068 0.750001 Mg\n",
"nsites": 8,
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"formula_full": "Rb1 Y1 Mg6",
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{
"id": "jvasp-79097",
"created_at": "2022-09-04T14:36:42.385551Z",
"updated_at": "2022-09-04T14:36:42.385583Z",
"structure_string": "Mg3 Re1\n1.0\n4.136620 0.000000 -0.000000\n-0.000000 4.136620 0.000000\n-0.000000 -0.000000 4.136620\nMg Re\n3 1\ndirect\n0.500001 0.500001 0.000000 Mg\n0.500001 0.000000 0.500001 Mg\n0.000000 0.500001 0.500001 Mg\n0.000000 0.000000 0.000000 Re\n",
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"elements": [
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"density": 6.078781070497779,
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"volume": 70.78429030843351,
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"formula_full": "Mg3 Re1",
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{
"id": "jvasp-11985",
"created_at": "2022-09-04T14:36:58.447775Z",
"updated_at": "2022-09-04T14:36:58.447808Z",
"structure_string": "Mg1 Re3\n1.0\n-0.000018 3.119070 3.119163\n3.119141 0.000041 3.119104\n3.119162 3.119032 0.000020\nMg Re\n1 3\ndirect\n0.750002 0.749998 0.750000 Mg\n0.000000 0.999990 0.000006 Re\n0.250001 0.249997 0.249995 Re\n0.499995 0.500015 0.499999 Re\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
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"chemical_system": "Mg-Re",
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"density_atomic": 0.0659082956128558,
"volume": 60.690387496832436,
"volume_molar": 9.137151407121724,
"formula_full": "Mg1 Re3",
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"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-16808",
"created_at": "2022-09-04T14:37:55.594648Z",
"updated_at": "2022-09-04T14:37:55.594660Z",
"structure_string": "Mg2 Rh1\n1.0\n3.061926 0.000000 -0.924426\n-0.279094 3.049180 -0.924426\n-0.008233 -0.009021 5.505870\nMg Rh\n2 1\ndirect\n0.643583 0.643581 0.287161 Mg\n0.356421 0.356420 0.712839 Mg\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 3,
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"elements": [
"Mg",
"Rh"
],
"chemical_system": "Mg-Rh",
"density": 4.899300982670984,
"density_atomic": 0.05841834034164234,
"volume": 51.35373552989335,
"volume_molar": 10.308647463761032,
"formula_full": "Mg2 Rh1",
"formula_reduced": "Mg2Rh",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2038636999999998,
"spacegroup": 139
},
{
"id": "jvasp-38739",
"created_at": "2022-09-04T14:37:59.239287Z",
"updated_at": "2022-09-04T14:37:59.239310Z",
"structure_string": "Mg1 Rh5\n1.0\n2.752527 0.000000 0.000000\n-1.376263 2.324287 4.352940\n0.000000 -4.830551 4.450914\nMg Rh\n1 5\ndirect\n0.385891 0.771780 0.721380 Mg\n0.004881 0.009762 0.003207 Rh\n0.725480 0.450959 0.053758 Rh\n0.332678 0.665355 0.331102 Rh\n0.057548 0.115094 0.387008 Rh\n0.660193 0.320385 0.670208 Rh\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Rh"
],
"chemical_system": "Mg-Rh",
"density": 10.3615548410516,
"density_atomic": 0.06948215829613377,
"volume": 86.35310340286105,
"volume_molar": 8.667175729247738,
"formula_full": "Mg1 Rh5",
"formula_reduced": "MgRh5",
"formula_anonymous": "AB5",
"energy_above_hull": 2.4950540083333337,
"spacegroup": 8
},
{
"id": "jvasp-20106",
"created_at": "2022-09-04T14:36:38.007725Z",
"updated_at": "2022-09-04T14:36:38.007756Z",
"structure_string": "Mg1 Rh1\n1.0\n3.109579 -0.000000 -0.000000\n-0.000000 3.109579 -0.000000\n0.000000 0.000000 3.109579\nMg Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 2,
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"elements": [
"Mg",
"Rh"
],
"chemical_system": "Mg-Rh",
"density": 7.02533879763406,
"density_atomic": 0.06651586015409429,
"volume": 30.068016791283917,
"volume_molar": 9.053691474557764,
"formula_full": "Mg1 Rh1",
"formula_reduced": "MgRh",
"formula_anonymous": "AB",
"energy_above_hull": 0.427731025,
"spacegroup": 221
},
{
"id": "jvasp-79983",
"created_at": "2022-09-04T14:36:52.696379Z",
"updated_at": "2022-09-04T14:36:52.696407Z",
"structure_string": "Mg1 Rh3\n1.0\n2.775304 -0.000000 -0.000000\n1.387653 -2.374361 4.386624\n0.000000 -4.748726 0.000000\nMg Rh\n1 3\ndirect\n0.749998 0.500001 0.084759 Mg\n0.995919 0.008159 0.001021 Rh\n0.504079 0.991842 0.509181 Rh\n0.249999 0.500001 0.571703 Rh\n",
"nsites": 4,
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"elements": [
"Mg",
"Rh"
],
"chemical_system": "Mg-Rh",
"density": 9.565403317734656,
"density_atomic": 0.06918977330349647,
"volume": 57.81201193497568,
"volume_molar": 8.703801837280588,
"formula_full": "Mg1 Rh3",
"formula_reduced": "MgRh3",
"formula_anonymous": "AB3",
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"spacegroup": 44
},
{
"id": "jvasp-103281",
"created_at": "2022-09-04T14:36:35.647840Z",
"updated_at": "2022-09-04T14:36:35.647871Z",
"structure_string": "Mg1 Sb1 Rh2\n1.0\n3.902345 -0.000000 2.253021\n1.300782 3.679166 2.253021\n-0.000000 -0.000000 4.506040\nMg Sb Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750001 0.749999 Rh\n",
"nsites": 4,
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"elements": [
"Mg",
"Sb",
"Rh"
],
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"density": 9.031682376829703,
"density_atomic": 0.06182866986287884,
"volume": 64.69490624448238,
"volume_molar": 9.7400457964819,
"formula_full": "Mg1 Sb1 Rh2",
"formula_reduced": "MgSbRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5155777875000005,
"spacegroup": 225
},
{
"id": "jvasp-39969",
"created_at": "2022-09-04T14:37:51.475797Z",
"updated_at": "2022-09-04T14:37:51.475807Z",
"structure_string": "Mg1 Sc1 Rh2\n1.0\n0.000000 3.161802 3.161802\n3.161802 0.000000 3.161802\n3.161802 3.161802 0.000000\nMg Sc Rh\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Mg\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Rh\n0.500001 0.500001 0.500001 Rh\n",
"nsites": 4,
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"elements": [
"Mg",
"Sc",
"Rh"
],
"chemical_system": "Mg-Rh-Sc",
"density": 7.225390745650818,
"density_atomic": 0.06327410140130559,
"volume": 63.21701788589075,
"volume_molar": 9.517544503406793,
"formula_full": "Mg1 Sc1 Rh2",
"formula_reduced": "MgScRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.669352575,
"spacegroup": 225
},
{
"id": "jvasp-39985",
"created_at": "2022-09-04T14:37:45.079115Z",
"updated_at": "2022-09-04T14:37:45.079138Z",
"structure_string": "Mg1 Si1 Rh2\n1.0\n0.000000 3.005543 3.005543\n3.005543 -0.000000 3.005543\n3.005543 3.005543 -0.000000\nMg Si Rh\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Mg\n0.749999 0.749999 0.749999 Si\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
"Mg",
"Si",
"Rh"
],
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"density": 7.896034286301148,
"density_atomic": 0.0736649940985227,
"volume": 54.29987538789767,
"volume_molar": 8.175037320909484,
"formula_full": "Mg1 Si1 Rh2",
"formula_reduced": "MgSiRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8357484125,
"spacegroup": 225
},
{
"id": "jvasp-80064",
"created_at": "2022-09-04T14:37:15.028947Z",
"updated_at": "2022-09-04T14:37:15.028972Z",
"structure_string": "Sm1 Mg1 Rh2\n1.0\n0.000010 3.315476 3.315469\n3.315475 0.000014 3.315466\n3.315478 3.315476 0.000011\nSm Mg Rh\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Sm\n0.250001 0.250000 0.250000 Mg\n0.999998 0.000000 0.000001 Rh\n0.500002 0.500001 0.500001 Rh\n",
"nsites": 4,
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"elements": [
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"Mg",
"Rh"
],
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"density": 8.66786310518864,
"density_atomic": 0.05487767083957523,
"volume": 72.8893908725329,
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"formula_full": "Sm1 Mg1 Rh2",
"formula_reduced": "SmMgRh2",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-39972",
"created_at": "2022-09-04T14:37:54.430827Z",
"updated_at": "2022-09-04T14:37:54.430840Z",
"structure_string": "Mg1 Sn1 Rh2\n1.0\n0.000000 3.168716 3.168716\n3.168716 0.000000 3.168716\n3.168716 3.168716 0.000000\nMg Sn Rh\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750001 0.750001 0.750001 Sn\n0.000000 0.000000 0.000000 Rh\n0.500002 0.500002 0.500002 Rh\n",
"nsites": 4,
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"elements": [
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"density": 9.10286285046203,
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"formula_full": "Mg1 Sn1 Rh2",
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}
]
}