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=126",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=124",
"results": [
{
"id": "mp-1096438",
"created_at": "2022-09-04T14:48:09.393038Z",
"structure_string": "Mg2 Cu1 Pd1\n1.0\n-4.977301 5.501246 7.778046\n4.977301 -5.501246 7.778046\n4.977301 5.501246 -7.778046\nMg Cu Pd\n2 1 1\ndirect\n0.000000 0.253653 0.253653 Mg\n0.000000 0.746347 0.746347 Mg\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"Pd"
],
"chemical_system": "Cu-Mg-Pd",
"density": 0.42605542713855094,
"density_atomic": 0.004695420823287006,
"volume": 851.893823906463,
"volume_molar": 128.25561300348434,
"formula_full": "Mg2 Cu1 Pd1",
"formula_reduced": "Mg2CuPd",
"formula_anonymous": "ABC2",
"energy": -7.31116125,
"energy_per_atom": -1.8277903125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.31116125,
"band_gap": 1.3568,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003047,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.723000Z",
"spacegroup": 71
},
{
"id": "mp-1093579",
"created_at": "2022-09-04T14:47:14.044244Z",
"structure_string": "Mg2 Ir1 Pd1\n1.0\n-4.983117 5.466654 7.817026\n4.983117 -5.466654 7.817026\n4.983117 5.466654 -7.817026\nMg Ir Pd\n2 1 1\ndirect\n0.000000 0.248353 0.248353 Mg\n0.000000 0.751647 0.751647 Mg\n0.000000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ir",
"Pd"
],
"chemical_system": "Ir-Mg-Pd",
"density": 0.6769605811626516,
"density_atomic": 0.004696083087994115,
"volume": 851.7736856543909,
"volume_molar": 128.23752576686837,
"formula_full": "Mg2 Ir1 Pd1",
"formula_reduced": "Mg2IrPd",
"formula_anonymous": "ABC2",
"energy": -9.30966434,
"energy_per_atom": -2.327416085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.30966434,
"band_gap": 0.4329999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3485039,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.832000Z",
"spacegroup": 71
},
{
"id": "mp-1096598",
"created_at": "2022-09-04T14:40:07.438572Z",
"structure_string": "Li1 Ti2 Ir1\n1.0\n-5.290600 5.327086 7.555336\n5.290600 -5.327086 7.555336\n5.290600 5.327086 -7.555336\nLi Ti Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.291554 0.291554 Ti\n0.000000 0.708446 0.708446 Ti\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ti",
"Ir"
],
"chemical_system": "Ir-Li-Ti",
"density": 0.5749150509960621,
"density_atomic": 0.004696254036511445,
"volume": 851.7426802088736,
"volume_molar": 128.23285778793758,
"formula_full": "Li1 Ti2 Ir1",
"formula_reduced": "LiTi2Ir",
"formula_anonymous": "ABC2",
"energy": -16.31790206,
"energy_per_atom": -4.079475515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.31790206,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.4609014,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.527000Z",
"spacegroup": 71
},
{
"id": "mp-1097245",
"created_at": "2022-09-04T14:41:32.679489Z",
"structure_string": "Hf2 Pd1 Rh1\n1.0\n-4.799273 5.600616 7.920629\n4.799273 -5.600616 7.920629\n4.799273 5.600616 -7.920629\nHf Pd Rh\n2 1 1\ndirect\n0.000000 0.241869 0.241869 Hf\n0.000000 0.758131 0.758131 Hf\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Pd",
"Rh"
],
"chemical_system": "Hf-Pd-Rh",
"density": 1.1042539526997028,
"density_atomic": 0.004697092110348269,
"volume": 851.5907088957251,
"volume_molar": 128.20997797195602,
"formula_full": "Hf2 Pd1 Rh1",
"formula_reduced": "Hf2PdRh",
"formula_anonymous": "ABC2",
"energy": -22.13634212,
"energy_per_atom": -5.53408553,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.13634212,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3146985,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.437000Z",
"spacegroup": 71
},
{
"id": "mp-1095773",
"created_at": "2022-09-04T14:47:01.081934Z",
"structure_string": "La2 Ru1 Au1\n1.0\n-5.067820 5.296818 7.929836\n5.067820 -5.296818 7.929836\n5.067820 5.296818 -7.929836\nLa Ru Au\n2 1 1\ndirect\n0.000000 0.226188 0.226188 La\n0.000000 0.773812 0.773812 La\n0.000000 0.000000 0.000000 Ru\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Ru",
"Au"
],
"chemical_system": "Au-La-Ru",
"density": 1.1230424207601142,
"density_atomic": 0.004697854507593776,
"volume": 851.4525074231781,
"volume_molar": 128.1891712539331,
"formula_full": "La2 Ru1 Au1",
"formula_reduced": "La2RuAu",
"formula_anonymous": "ABC2",
"energy": -16.97766244,
"energy_per_atom": -4.24441561,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.97766244,
"band_gap": 0.0517,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.000074,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.179000Z",
"spacegroup": 71
},
{
"id": "mp-1097442",
"created_at": "2022-09-04T14:46:27.946417Z",
"structure_string": "Li2 Ag1 As1\n1.0\n-5.073136 5.448934 7.698838\n5.073136 -5.448934 7.698838\n5.073136 5.448934 -7.698838\nLi Ag As\n2 1 1\ndirect\n0.000000 0.247668 0.247668 Li\n0.000000 0.752332 0.752332 Li\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ag",
"As"
],
"chemical_system": "Ag-As-Li",
"density": 0.38363477284175157,
"density_atomic": 0.004698797902458907,
"volume": 851.2815581846535,
"volume_molar": 128.16343424450287,
"formula_full": "Li2 Ag1 As1",
"formula_reduced": "Li2AgAs",
"formula_anonymous": "ABC2",
"energy": -8.13284628,
"energy_per_atom": -2.03321157,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.13284628,
"band_gap": 0.9152999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.999986,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.367000Z",
"spacegroup": 71
},
{
"id": "mp-1096462",
"created_at": "2022-09-04T14:44:48.976244Z",
"structure_string": "Al1 Cd1 Rh2\n1.0\n-4.978668 5.497496 7.775054\n4.978668 -5.497496 7.775054\n4.978668 5.497496 -7.775054\nAl Cd Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Cd\n0.000000 0.226759 0.226759 Rh\n0.000000 0.773241 0.773241 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cd",
"Rh"
],
"chemical_system": "Al-Cd-Rh",
"density": 0.6734150877811782,
"density_atomic": 0.00469914122708529,
"volume": 851.2193625815024,
"volume_molar": 128.1540704775821,
"formula_full": "Al1 Cd1 Rh2",
"formula_reduced": "AlCdRh2",
"formula_anonymous": "ABC2",
"energy": -11.50408106,
"energy_per_atom": -2.876020265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.50408106,
"band_gap": 0.1353999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9976846,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.969000Z",
"spacegroup": 71
},
{
"id": "mp-1095784",
"created_at": "2022-09-04T14:48:08.884858Z",
"structure_string": "Li1 Al1 Zn2\n1.0\n-5.311388 5.322754 7.526007\n5.311388 -5.322754 7.526007\n5.311388 5.322754 -7.526007\nLi Al Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Al\n0.000000 0.249880 0.249880 Zn\n0.000000 0.750120 0.750120 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Al",
"Zn"
],
"chemical_system": "Al-Li-Zn",
"density": 0.32142566175254844,
"density_atomic": 0.004699925339734008,
"volume": 851.0773492896335,
"volume_molar": 128.13268987674647,
"formula_full": "Li1 Al1 Zn2",
"formula_reduced": "LiAlZn2",
"formula_anonymous": "ABC2",
"energy": -3.25380539,
"energy_per_atom": -0.8134513475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.25380539,
"band_gap": 0.1497999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.999738,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.739000Z",
"spacegroup": 71
},
{
"id": "mp-1095783",
"created_at": "2022-09-04T14:44:53.175615Z",
"structure_string": "Zr2 Re1 Pd1\n1.0\n-4.881077 5.574860 7.817804\n4.881077 -5.574860 7.817804\n4.881077 5.574860 -7.817804\nZr Re Pd\n2 1 1\ndirect\n0.000000 0.260873 0.260873 Zr\n0.000000 0.739127 0.739127 Zr\n0.000000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Re",
"Pd"
],
"chemical_system": "Pd-Re-Zr",
"density": 0.9270792927656638,
"density_atomic": 0.00470073314625728,
"volume": 850.9310942666033,
"volume_molar": 128.11067066835784,
"formula_full": "Zr2 Re1 Pd1",
"formula_reduced": "Zr2RePd",
"formula_anonymous": "ABC2",
"energy": -21.94630806,
"energy_per_atom": -5.486577015,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.94630806,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9996753,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.378000Z",
"spacegroup": 71
},
{
"id": "mp-1093535",
"created_at": "2022-09-04T14:45:04.848540Z",
"structure_string": "Zr2 Cu1 Rh1\n1.0\n-5.034722 5.510436 7.661169\n5.034722 -5.510436 7.661169\n5.034722 5.510436 -7.661169\nZr Cu Rh\n2 1 1\ndirect\n0.000000 0.269683 0.269683 Zr\n0.000000 0.730317 0.730317 Zr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"Rh"
],
"chemical_system": "Cu-Rh-Zr",
"density": 0.6814483628636825,
"density_atomic": 0.004704825272899308,
"volume": 850.1909779818527,
"volume_molar": 127.99924355721944,
"formula_full": "Zr2 Cu1 Rh1",
"formula_reduced": "Zr2CuRh",
"formula_anonymous": "ABC2",
"energy": -17.43444388,
"energy_per_atom": -4.35861097,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.43444388,
"band_gap": 0.1472000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.517000Z",
"spacegroup": 71
},
{
"id": "mp-1097302",
"created_at": "2022-09-04T14:46:19.010164Z",
"structure_string": "Ti2 Nb1 Rh1\n1.0\n-4.436031 5.782134 8.284977\n4.436031 -5.782134 8.284977\n4.436031 5.782134 -8.284977\nTi Nb Rh\n2 1 1\ndirect\n0.000000 0.249336 0.249336 Ti\n0.000000 0.750664 0.750664 Ti\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Nb",
"Rh"
],
"chemical_system": "Nb-Rh-Ti",
"density": 0.5695370520393336,
"density_atomic": 0.004705718765913054,
"volume": 850.0295489341419,
"volume_molar": 127.97493984601776,
"formula_full": "Ti2 Nb1 Rh1",
"formula_reduced": "Ti2NbRh",
"formula_anonymous": "ABC2",
"energy": -20.57804139,
"energy_per_atom": -5.1445103475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.57804139,
"band_gap": 0.0428999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.680424,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.240000Z",
"spacegroup": 71
},
{
"id": "mp-1097097",
"created_at": "2022-09-04T14:48:20.149289Z",
"structure_string": "Hf2 Al1 Re1\n1.0\n-5.149440 5.531119 7.456235\n5.149440 -5.531119 7.456235\n5.149440 5.531119 -7.456235\nHf Al Re\n2 1 1\ndirect\n0.000000 0.273791 0.273791 Hf\n0.000000 0.726209 0.726209 Hf\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Al",
"Re"
],
"chemical_system": "Al-Hf-Re",
"density": 1.1145505332197436,
"density_atomic": 0.004708769244955227,
"volume": 849.4788748217867,
"volume_molar": 127.89203392058049,
"formula_full": "Hf2 Al1 Re1",
"formula_reduced": "Hf2AlRe",
"formula_anonymous": "ABC2",
"energy": -21.14303148,
"energy_per_atom": -5.28575787,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.14303148,
"band_gap": 0.1311,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:56.070000Z",
"spacegroup": 71
}
]
}