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{
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{
"id": "jvasp-8737",
"created_at": "2022-09-04T14:36:46.244862Z",
"updated_at": "2022-09-04T14:36:46.244885Z",
"structure_string": "Mn2 Pd6\n1.0\n3.817625 -0.000000 -0.934675\n-0.228837 3.810759 -0.934674\n0.003973 0.004219 8.279994\nMn Pd\n2 6\ndirect\n0.124324 0.124324 0.248648 Mn\n0.875673 0.875676 0.751353 Mn\n0.374772 0.374773 0.749545 Pd\n0.625226 0.625227 0.250455 Pd\n0.499999 0.000000 0.000000 Pd\n-0.000000 0.500000 0.000000 Pd\n0.749999 0.250000 0.500000 Pd\n0.249999 0.750000 0.500000 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"density": 10.314241569624988,
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"formula_full": "Mn2 Pd6",
"formula_reduced": "MnPd3",
"formula_anonymous": "AB3",
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},
{
"id": "jvasp-91813",
"created_at": "2022-09-04T14:35:50.902657Z",
"updated_at": "2022-09-04T14:35:50.902684Z",
"structure_string": "Mn3 Pd5\n1.0\n0.000000 -3.857093 0.000000\n-3.946721 0.000000 -3.791777\n3.946721 0.000000 -3.791777\nMn Pd\n3 5\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.745016 0.254985 Mn\n0.500000 0.254985 0.745016 Mn\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.231191 0.231191 Pd\n0.500000 0.768810 0.768810 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"density": 10.024415284500972,
"density_atomic": 0.0692979945379611,
"volume": 115.4434562405358,
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"formula_full": "Mn3 Pd5",
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"formula_anonymous": "A3B5",
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"spacegroup": 65
},
{
"id": "jvasp-19804",
"created_at": "2022-09-04T14:38:16.835554Z",
"updated_at": "2022-09-04T14:38:16.835574Z",
"structure_string": "Mn2 Pt2\n1.0\n3.765058 -0.000000 0.000000\n-0.000000 3.749826 0.000000\n0.000000 0.000000 3.749826\nMn Pt\n2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500001 0.500001 Mn\n0.500000 0.000000 0.500001 Pt\n0.500000 0.500001 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Pt"
],
"chemical_system": "Mn-Pt",
"density": 15.684240510981358,
"density_atomic": 0.0755555007987115,
"volume": 52.941214838300894,
"volume_molar": 7.970486194041216,
"formula_full": "Mn2 Pt2",
"formula_reduced": "MnPt",
"formula_anonymous": "AB",
"energy_above_hull": 2.287284320689656,
"spacegroup": 123
},
{
"id": "jvasp-100648",
"created_at": "2022-09-04T14:36:34.606033Z",
"updated_at": "2022-09-04T14:36:34.606054Z",
"structure_string": "Mn1 Pt2\n1.0\n2.731468 0.000000 0.000000\n-1.365735 2.365521 -0.000000\n0.000000 -0.000000 6.601049\nMn Pt\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.333334 0.666667 0.687210 Pt\n0.666668 0.333333 0.312790 Pt\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"Pt"
],
"chemical_system": "Mn-Pt",
"density": 17.329127957542376,
"density_atomic": 0.07033724817943253,
"volume": 42.651654388680456,
"volume_molar": 8.561808879183516,
"formula_full": "Mn1 Pt2",
"formula_reduced": "MnPt2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.807960013793104,
"spacegroup": 164
},
{
"id": "jvasp-20110",
"created_at": "2022-09-04T14:36:42.210693Z",
"updated_at": "2022-09-04T14:36:42.210702Z",
"structure_string": "Mn1 Pt3\n1.0\n3.929689 0.000000 -0.000000\n-0.000000 3.929689 -0.000000\n0.000000 -0.000000 3.929689\nMn Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Pt"
],
"chemical_system": "Mn-Pt",
"density": 17.51795758449329,
"density_atomic": 0.06591518081977374,
"volume": 60.68404804861052,
"volume_molar": 9.136196980883398,
"formula_full": "Mn1 Pt3",
"formula_reduced": "MnPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.945997860344828,
"spacegroup": 221
},
{
"id": "jvasp-79239",
"created_at": "2022-09-04T14:37:11.597844Z",
"updated_at": "2022-09-04T14:37:11.597869Z",
"structure_string": "Mn3 Pt1\n1.0\n3.638587 0.000000 0.000000\n0.000000 3.638587 0.000000\n-0.000000 0.000000 3.638587\nMn Pt\n3 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Pt"
],
"chemical_system": "Mn-Pt",
"density": 12.40596075590308,
"density_atomic": 0.08303509765162041,
"volume": 48.172400745312316,
"volume_molar": 7.252524450884993,
"formula_full": "Mn3 Pt1",
"formula_reduced": "Mn3Pt",
"formula_anonymous": "AB3",
"energy_above_hull": 3.8254082810344814,
"spacegroup": 221
},
{
"id": "jvasp-103279",
"created_at": "2022-09-04T14:37:13.487787Z",
"updated_at": "2022-09-04T14:37:13.487804Z",
"structure_string": "Mn3 Re1\n1.0\n3.558585 -0.000000 2.054550\n1.186195 3.355066 2.054550\n-0.000000 -0.000000 4.109100\nMn Re\n3 1\ndirect\n0.250001 0.250000 0.250000 Mn\n0.750002 0.750001 0.749999 Mn\n0.500001 0.500001 0.499999 Mn\n0.000000 0.000000 0.000000 Re\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Re"
],
"chemical_system": "Mn-Re",
"density": 11.881116145552797,
"density_atomic": 0.08153327159534557,
"volume": 49.05972643722965,
"volume_molar": 7.386114456302256,
"formula_full": "Mn3 Re1",
"formula_reduced": "Mn3Re",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-78442",
"created_at": "2022-09-04T14:37:14.731817Z",
"updated_at": "2022-09-04T14:37:14.731834Z",
"structure_string": "Mn1 Rh1\n1.0\n3.112765 0.000000 -0.000000\n0.000000 3.112765 -0.000000\n0.000000 0.000000 2.636552\nMn Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500001 0.500000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Rh"
],
"chemical_system": "Mn-Rh",
"density": 10.259989425748595,
"density_atomic": 0.07828904316527091,
"volume": 25.546358968494864,
"volume_molar": 7.692188480688224,
"formula_full": "Mn1 Rh1",
"formula_reduced": "MnRh",
"formula_anonymous": "AB",
"energy_above_hull": 2.528745120689655,
"spacegroup": 123
},
{
"id": "jvasp-14964",
"created_at": "2022-09-04T14:35:46.907621Z",
"updated_at": "2022-09-04T14:35:46.907647Z",
"structure_string": "Mn3 Rh1\n1.0\n3.596312 0.000000 -0.000000\n0.000000 3.596312 -0.000000\n0.000000 0.000000 3.596312\nMn Rh\n3 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Rh"
],
"chemical_system": "Mn-Rh",
"density": 9.557784522398222,
"density_atomic": 0.08599791161006534,
"volume": 46.51275740435345,
"volume_molar": 7.002659305618717,
"formula_full": "Mn3 Rh1",
"formula_reduced": "Mn3Rh",
"formula_anonymous": "AB3",
"energy_above_hull": 3.9099186810344815,
"spacegroup": 221
},
{
"id": "jvasp-14704",
"created_at": "2022-09-04T14:35:42.754818Z",
"updated_at": "2022-09-04T14:35:42.754849Z",
"structure_string": "Mn1 Rh1\n1.0\n2.944952 -0.000000 0.000000\n0.000000 2.944952 0.000000\n0.000000 -0.000000 2.944952\nMn Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 2,
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"elements": [
"Mn",
"Rh"
],
"chemical_system": "Mn-Rh",
"density": 10.26221860843258,
"density_atomic": 0.07830605298585921,
"volume": 25.540809729755722,
"volume_molar": 7.690517565848326,
"formula_full": "Mn1 Rh1",
"formula_reduced": "MnRh",
"formula_anonymous": "AB",
"energy_above_hull": 2.568325120689655,
"spacegroup": 221
},
{
"id": "jvasp-41275",
"created_at": "2022-09-04T14:37:17.676072Z",
"updated_at": "2022-09-04T14:37:17.676091Z",
"structure_string": "Mn2 Ru6\n1.0\n2.681651 -4.644756 -0.000000\n2.681651 4.644756 0.000000\n0.000000 -0.000000 4.207254\nMn Ru\n2 6\ndirect\n0.333333 0.666667 0.749999 Mn\n0.666667 0.333333 0.250000 Mn\n0.658534 0.829267 0.250000 Ru\n0.170732 0.829267 0.250000 Ru\n0.170733 0.341465 0.250000 Ru\n0.341465 0.170733 0.749999 Ru\n0.829267 0.170732 0.749999 Ru\n0.829267 0.658534 0.749999 Ru\n",
"nsites": 8,
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"elements": [
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"Ru"
],
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"density": 11.348743736024106,
"density_atomic": 0.07633014693811728,
"volume": 104.80786846232323,
"volume_molar": 7.88959670794594,
"formula_full": "Mn2 Ru6",
"formula_reduced": "MnRu3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.428294685344828,
"spacegroup": 194
},
{
"id": "jvasp-78724",
"created_at": "2022-09-04T14:37:12.715636Z",
"updated_at": "2022-09-04T14:37:12.715671Z",
"structure_string": "Mn2 S2\n1.0\n3.052454 0.000000 1.762334\n1.017485 2.877881 1.762334\n-1.019221 -2.879109 5.290013\nMn S\n2 2\ndirect\n0.000055 -0.000026 -0.000081 Mn\n0.000056 0.499971 0.499915 Mn\n0.249943 0.375027 0.125083 S\n0.249943 0.875027 0.625083 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"S"
],
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"density": 4.662999064476875,
"density_atomic": 0.06455230788699944,
"volume": 61.965251606528284,
"volume_molar": 9.329086685083237,
"formula_full": "Mn2 S2",
"formula_reduced": "MnS",
"formula_anonymous": "AB",
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"spacegroup": 216
}
]
}