HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=12108",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=12106",
"results": [
{
"id": "mp-1213556",
"created_at": "2022-09-04T14:39:57.823601Z",
"structure_string": "Er2 Ga12\n1.0\n14.309414 0.000000 0.000000\n0.000000 14.309414 0.000000\n0.000000 0.000000 17.699330\nEr Ga\n2 12\ndirect\n0.500000 0.000000 0.000000 Er\n0.000000 0.500000 0.000000 Er\n0.872366 0.000000 0.351162 Ga\n0.127634 0.000000 0.351162 Ga\n0.000000 0.872366 0.351162 Ga\n0.000000 0.127634 0.648838 Ga\n0.127634 0.000000 0.648838 Ga\n0.000000 0.127634 0.351162 Ga\n0.000000 0.872366 0.648838 Ga\n0.872366 0.000000 0.648838 Ga\n0.000000 0.500000 0.159208 Ga\n0.500000 0.000000 0.159208 Ga\n0.500000 0.000000 0.840792 Ga\n0.000000 0.500000 0.840792 Ga\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Er",
"Ga"
],
"chemical_system": "Er-Ga",
"density": 0.5366330444990574,
"density_atomic": 0.003863024933683449,
"volume": 3624.1029349636638,
"volume_molar": 155.89184287914506,
"formula_full": "Er2 Ga12",
"formula_reduced": "ErGa6",
"formula_anonymous": "AB6",
"energy": -23.0673067,
"energy_per_atom": -1.6476647642857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.0673067,
"band_gap": 0.0277000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9556502,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.090000Z",
"spacegroup": 123
},
{
"id": "mp-1097512",
"created_at": "2022-09-04T14:45:27.498653Z",
"structure_string": "Li1 Zn1 Cd2\n1.0\n-5.675663 5.681286 8.029482\n5.675663 -5.681286 8.029482\n5.675663 5.681286 -8.029482\nLi Zn Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Zn\n0.000000 0.248695 0.248695 Cd\n0.000000 0.751305 0.751305 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Cd"
],
"chemical_system": "Cd-Li-Zn",
"density": 0.47648168417414144,
"density_atomic": 0.0038623285809566994,
"volume": 1035.6446677587435,
"volume_molar": 155.91994916466467,
"formula_full": "Li1 Zn1 Cd2",
"formula_reduced": "LiZnCd2",
"formula_anonymous": "ABC2",
"energy": -2.0900981,
"energy_per_atom": -0.522524525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.0900981,
"band_gap": 0.0392999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000872,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.075000Z",
"spacegroup": 71
},
{
"id": "mp-1096483",
"created_at": "2022-09-04T14:39:36.074478Z",
"structure_string": "Sc2 Ga1 Ni1\n1.0\n-4.963302 5.864603 8.906839\n4.963302 -5.864603 8.906839\n4.963302 5.864603 -8.906839\nSc Ga Ni\n2 1 1\ndirect\n0.000000 0.224238 0.224238 Sc\n0.000000 0.775762 0.775762 Sc\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Sc",
"density": 0.3495956873693173,
"density_atomic": 0.0038571548846649067,
"volume": 1037.0338033100538,
"volume_molar": 156.12908841028244,
"formula_full": "Sc2 Ga1 Ni1",
"formula_reduced": "Sc2GaNi",
"formula_anonymous": "ABC2",
"energy": -13.23649391,
"energy_per_atom": -3.3091234775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.23649391,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9981258,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.492000Z",
"spacegroup": 71
},
{
"id": "mp-1095715",
"created_at": "2022-09-04T14:47:12.155273Z",
"structure_string": "Ca1 La1 Rh2\n1.0\n-4.988206 6.073697 8.563048\n4.988206 -6.073697 8.563048\n4.988206 6.073697 -8.563048\nCa La Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 La\n0.000000 0.274798 0.274798 Rh\n0.000000 0.725202 0.725202 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"La",
"Rh"
],
"chemical_system": "Ca-La-Rh",
"density": 0.6157324567737875,
"density_atomic": 0.003854553862454186,
"volume": 1037.7335854513676,
"volume_molar": 156.2344430741906,
"formula_full": "Ca1 La1 Rh2",
"formula_reduced": "CaLaRh2",
"formula_anonymous": "ABC2",
"energy": -17.64424294,
"energy_per_atom": -4.411060735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.64424294,
"band_gap": 0.6927999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 9.14e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.581000Z",
"spacegroup": 71
},
{
"id": "mp-1097087",
"created_at": "2022-09-04T14:41:27.629526Z",
"structure_string": "Hf1 Cd1 Au2\n1.0\n-5.494206 5.778281 8.172088\n5.494206 -5.778281 8.172088\n5.494206 5.778281 -8.172088\nHf Cd Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Cd\n0.000000 0.263855 0.263855 Au\n0.000000 0.736145 0.736145 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Hf",
"density": 1.0958166021104345,
"density_atomic": 0.003854458451272171,
"volume": 1037.759272947875,
"volume_molar": 156.23831041718407,
"formula_full": "Hf1 Cd1 Au2",
"formula_reduced": "HfCdAu2",
"formula_anonymous": "ABC2",
"energy": -11.40745343,
"energy_per_atom": -2.8518633575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.40745343,
"band_gap": 0.3532999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001665,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.204000Z",
"spacegroup": 71
},
{
"id": "mp-1096114",
"created_at": "2022-09-04T14:42:39.097587Z",
"structure_string": "Cd1 In1 Ag2\n1.0\n-5.466149 5.793878 8.193090\n5.466149 -5.793878 8.193090\n5.466149 5.793878 -8.193090\nCd In Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 In\n0.000000 0.250491 0.250491 Ag\n0.000000 0.749509 0.749509 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"In",
"Ag"
],
"chemical_system": "Ag-Cd-In",
"density": 0.7086966395426106,
"density_atomic": 0.0038539090601112133,
"volume": 1037.9072099549155,
"volume_molar": 156.26058285418438,
"formula_full": "Cd1 In1 Ag2",
"formula_reduced": "CdInAg2",
"formula_anonymous": "ABC2",
"energy": -5.78396158,
"energy_per_atom": -1.445990395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.78396158,
"band_gap": 0.0203999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.54e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.485000Z",
"spacegroup": 71
},
{
"id": "mp-1097659",
"created_at": "2022-09-04T14:40:10.220490Z",
"structure_string": "Y2 Ga1 Pd1\n1.0\n-5.234957 5.925648 8.379968\n5.234957 -5.925648 8.379968\n5.234957 5.925648 -8.379968\nY Ga Pd\n2 1 1\ndirect\n0.000000 0.254057 0.254057 Y\n0.000000 0.745943 0.745943 Y\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ga",
"Pd"
],
"chemical_system": "Ga-Pd-Y",
"density": 0.5652563646213685,
"density_atomic": 0.0038468802865588548,
"volume": 1039.8036076080016,
"volume_molar": 156.54609219427982,
"formula_full": "Y2 Ga1 Pd1",
"formula_reduced": "Y2GaPd",
"formula_anonymous": "ABC2",
"energy": -13.95425226,
"energy_per_atom": -3.488563065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.95425226,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7524292,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.516000Z",
"spacegroup": 71
},
{
"id": "mp-1097151",
"created_at": "2022-09-04T14:43:18.120841Z",
"structure_string": "Li2 Hg1 Bi1\n1.0\n-5.562050 5.763049 8.110341\n5.562050 -5.763049 8.110341\n5.562050 5.763049 -8.110341\nLi Hg Bi\n2 1 1\ndirect\n0.000000 0.255510 0.255510 Li\n0.000000 0.744490 0.744490 Li\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Hg",
"Bi"
],
"chemical_system": "Bi-Hg-Li",
"density": 0.6761878913004904,
"density_atomic": 0.003846570394241585,
"volume": 1039.887377594364,
"volume_molar": 156.55870406051326,
"formula_full": "Li2 Hg1 Bi1",
"formula_reduced": "Li2HgBi",
"formula_anonymous": "ABC2",
"energy": -5.38115097,
"energy_per_atom": -1.3452877425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.38115097,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4351344,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.045000Z",
"spacegroup": 71
},
{
"id": "mp-1097433",
"created_at": "2022-09-04T14:43:19.345301Z",
"structure_string": "Mg1 Ag2 Hg1\n1.0\n-5.461728 5.809668 8.215810\n5.461728 -5.809668 8.215810\n5.461728 5.809668 -8.215810\nMg Ag Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.236808 0.236808 Ag\n0.000000 0.763192 0.763192 Ag\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Mg",
"density": 0.7016697897486303,
"density_atomic": 0.0038359084190242618,
"volume": 1042.777762931441,
"volume_molar": 156.99386174427622,
"formula_full": "Mg1 Ag2 Hg1",
"formula_reduced": "MgAg2Hg",
"formula_anonymous": "ABC2",
"energy": -4.32847536,
"energy_per_atom": -1.08211884,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.32847536,
"band_gap": 0.552,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.03e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.687000Z",
"spacegroup": 71
},
{
"id": "mp-1096708",
"created_at": "2022-09-04T14:42:42.746376Z",
"structure_string": "Na1 Ag1 Pd2\n1.0\n-5.372039 5.864819 8.279214\n5.372039 -5.864819 8.279214\n5.372039 5.864819 -8.279214\nNa Ag Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Ag\n0.000000 0.255368 0.255368 Pd\n0.000000 0.744632 0.744632 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ag",
"Pd"
],
"chemical_system": "Ag-Na-Pd",
"density": 0.5469947947690176,
"density_atomic": 0.0038336911412369915,
"volume": 1043.380870455137,
"volume_molar": 157.08466170430398,
"formula_full": "Na1 Ag1 Pd2",
"formula_reduced": "NaAgPd2",
"formula_anonymous": "ABC2",
"energy": -7.73402174,
"energy_per_atom": -1.933505435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.73402174,
"band_gap": 0.0794000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002479,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.967000Z",
"spacegroup": 71
},
{
"id": "mp-1096124",
"created_at": "2022-09-04T14:40:07.529368Z",
"structure_string": "Li2 Cd1 In1\n1.0\n-5.660132 5.763134 8.005316\n5.660132 -5.763134 8.005316\n5.660132 5.763134 -8.005316\nLi Cd In\n2 1 1\ndirect\n0.748549 0.000000 0.748549 Li\n0.251451 0.000000 0.251451 Li\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"In"
],
"chemical_system": "Cd-In-Li",
"density": 0.3833031369224365,
"density_atomic": 0.0038294485860772293,
"volume": 1044.5368073468453,
"volume_molar": 157.2586920710926,
"formula_full": "Li2 Cd1 In1",
"formula_reduced": "Li2CdIn",
"formula_anonymous": "ABC2",
"energy": -3.84571928,
"energy_per_atom": -0.96142982,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.84571928,
"band_gap": 0.0022999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0003942,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.160000Z",
"spacegroup": 71
},
{
"id": "mp-1096075",
"created_at": "2022-09-04T14:46:07.890758Z",
"structure_string": "Li1 Sn1 Hg2\n1.0\n-5.560489 5.773402 8.151612\n5.560489 -5.773402 8.151612\n5.560489 5.773402 -8.151612\nLi Sn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sn\n0.000000 0.239259 0.239259 Hg\n0.000000 0.760741 0.760740 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sn",
"Hg"
],
"chemical_system": "Hg-Li-Sn",
"density": 0.8357418379620045,
"density_atomic": 0.0038213051160372754,
"volume": 1046.7627887688886,
"volume_molar": 157.59382140740988,
"formula_full": "Li1 Sn1 Hg2",
"formula_reduced": "LiSnHg2",
"formula_anonymous": "ABC2",
"energy": -3.82458649,
"energy_per_atom": -0.9561466225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.82458649,
"band_gap": 0.1794000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.0000121,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.441000Z",
"spacegroup": 71
}
]
}