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&page=11493",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=11491",
"results": [
{
"id": "mp-864978",
"created_at": "2022-09-04T14:43:17.391144Z",
"structure_string": "Mg2 Ag1 Au1\n1.0\n0.000000 3.315180 3.315180\n3.315180 0.000000 3.315180\n3.315180 3.315180 0.000000\nMg Ag Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Mg",
"density": 8.054142684615984,
"density_atomic": 0.054891949428900334,
"volume": 72.87043075744765,
"volume_molar": 10.970899781579579,
"formula_full": "Mg2 Ag1 Au1",
"formula_reduced": "Mg2AgAu",
"formula_anonymous": "ABC2",
"energy": -11.08169954,
"energy_per_atom": -2.770424885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.08169954,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016666,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.656000Z",
"spacegroup": 225
},
{
"id": "mp-1392959",
"created_at": "2022-09-04T14:42:15.626340Z",
"structure_string": "Zn1 Cr2 N2\n1.0\n3.672037 0.000000 0.000000\n0.000000 3.672037 0.000000\n0.000000 0.000000 5.404087\nZn Cr N\n1 2 2\ndirect\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.752345 Cr\n0.000000 0.000000 0.247655 Cr\n0.000000 0.500000 0.237867 N\n0.500000 0.000000 0.762133 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zn",
"Cr",
"N"
],
"chemical_system": "Cr-N-Zn",
"density": 4.498750795586215,
"density_atomic": 0.06861729209629032,
"volume": 72.86792945695852,
"volume_molar": 8.776418561591093,
"formula_full": "Zn1 Cr2 N2",
"formula_reduced": "Zn(CrN)2",
"formula_anonymous": "AB2C2",
"energy": -35.761541300000005,
"energy_per_atom": -7.152308260000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.0395413,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9396407,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.857000Z",
"spacegroup": 115
},
{
"id": "mp-3686",
"created_at": "2022-09-04T14:46:22.422770Z",
"structure_string": "Yb1 B1 Rh3\n1.0\n4.176703 0.000000 0.000000\n0.000000 4.176703 0.000000\n0.000000 0.000000 4.176703\nYb B Rh\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"B",
"Rh"
],
"chemical_system": "B-Rh-Yb",
"density": 11.225716447549612,
"density_atomic": 0.06862292437316005,
"volume": 72.86194876818178,
"volume_molar": 8.775698230597985,
"formula_full": "Yb1 B1 Rh3",
"formula_reduced": "YbBRh3",
"formula_anonymous": "ABC3",
"energy": -33.36504632,
"energy_per_atom": -6.673009263999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.36504632,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.77e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:35.320000Z",
"spacegroup": 221
},
{
"id": "mp-58",
"created_at": "2022-09-04T14:47:28.022673Z",
"structure_string": "K1\n1.0\n-2.631059 2.631060 2.631060\n2.631059 -2.631060 2.631060\n2.631060 2.631060 -2.631059\nK\n1\ndirect\n0.000000 0.000000 0.000000 K\n",
"nsites": 1,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8911581989182845,
"density_atomic": 0.013726121379110086,
"volume": 72.85379258862663,
"volume_molar": 43.87357938685544,
"formula_full": "K1",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -1.10082171,
"energy_per_atom": -1.10082171,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.10082171,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003526,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.452000Z",
"spacegroup": 229
},
{
"id": "mp-1185496",
"created_at": "2022-09-04T14:42:39.651962Z",
"structure_string": "Lu1 Hf1 Rh2\n1.0\n0.000000 3.314906 3.314906\n3.314906 0.000000 3.314906\n3.314906 3.314906 0.000000\nLu Hf Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Hf\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Hf",
"Rh"
],
"chemical_system": "Hf-Lu-Rh",
"density": 12.747511702749474,
"density_atomic": 0.054905562156414275,
"volume": 72.85236400284639,
"volume_molar": 10.968179768097448,
"formula_full": "Lu1 Hf1 Rh2",
"formula_reduced": "LuHfRh2",
"formula_anonymous": "ABC2",
"energy": -32.91862377,
"energy_per_atom": -8.2296559425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.91862377,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.017492,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.558000Z",
"spacegroup": 225
},
{
"id": "mp-862473",
"created_at": "2022-09-04T14:41:23.125131Z",
"structure_string": "Sc2 Ag1 Ru1\n1.0\n0.000000 3.314896 3.314896\n3.314896 0.000000 3.314896\n3.314896 3.314896 0.000000\nSc Ag Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ag",
"Ru"
],
"chemical_system": "Ag-Ru-Sc",
"density": 6.81181232514289,
"density_atomic": 0.05490605905641768,
"volume": 72.85170468872799,
"volume_molar": 10.968080506036799,
"formula_full": "Sc2 Ag1 Ru1",
"formula_reduced": "Sc2AgRu",
"formula_anonymous": "ABC2",
"energy": -26.53913279,
"energy_per_atom": -6.6347831975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.53913279,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006581,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.123000Z",
"spacegroup": 225
},
{
"id": "mp-1097794",
"created_at": "2022-09-04T14:40:27.144460Z",
"structure_string": "Ti2 H2 O3\n1.0\n1.557418 -2.697527 0.000000\n1.557418 2.697527 0.000000\n0.000000 0.000000 8.670109\nTi H O\n2 2 3\ndirect\n0.333333 0.666667 0.125074 Ti\n0.666667 0.333333 0.874926 Ti\n0.666667 0.333333 0.374664 H\n0.333333 0.666667 0.625336 H\n0.666667 0.333333 0.260463 O\n0.333333 0.666667 0.739537 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"H",
"O"
],
"chemical_system": "H-O-Ti",
"density": 3.322204763532206,
"density_atomic": 0.09608873961504787,
"volume": 72.84932686226819,
"volume_molar": 6.26727000908326,
"formula_full": "Ti2 H2 O3",
"formula_reduced": "Ti2H2O3",
"formula_anonymous": "A2B2C3",
"energy": -51.61642508,
"energy_per_atom": -7.373775011428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.55542508,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.56e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.941000Z",
"spacegroup": 164
},
{
"id": "mp-864762",
"created_at": "2022-09-04T14:40:29.389552Z",
"structure_string": "Li1 Mg2 Zn1\n1.0\n0.000000 3.314854 3.314854\n3.314854 0.000000 3.314854\n3.314854 3.314854 0.000000\nLi Mg Zn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Zn"
],
"chemical_system": "Li-Mg-Zn",
"density": 2.7571961595064627,
"density_atomic": 0.05490814610190937,
"volume": 72.84893561286901,
"volume_molar": 10.967663611921852,
"formula_full": "Li1 Mg2 Zn1",
"formula_reduced": "LiMg2Zn",
"formula_anonymous": "ABC2",
"energy": -6.91898912,
"energy_per_atom": -1.72974728,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.91898912,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018193,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.454000Z",
"spacegroup": 225
},
{
"id": "mp-3717",
"created_at": "2022-09-04T14:44:25.108441Z",
"structure_string": "Lu1 B1 Rh3\n1.0\n4.176183 0.000000 0.000000\n0.000000 4.176183 0.000000\n0.000000 0.000000 4.176183\nLu B Rh\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Lu",
"B",
"Rh"
],
"chemical_system": "B-Lu-Rh",
"density": 11.273843441143347,
"density_atomic": 0.0686485614422711,
"volume": 72.83473819338033,
"volume_molar": 8.772420912365689,
"formula_full": "Lu1 B1 Rh3",
"formula_reduced": "LuBRh3",
"formula_anonymous": "ABC3",
"energy": -37.45547756,
"energy_per_atom": -7.491095511999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.45547756,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0330489,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.110000Z",
"spacegroup": 221
},
{
"id": "mp-406",
"created_at": "2022-09-04T14:40:18.881490Z",
"structure_string": "Cd1 Te1\n1.0\n0.000000 3.314524 3.314524\n3.314524 0.000000 3.314524\n3.314524 3.314524 0.000000\nCd Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.750000 0.750000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"Te"
],
"chemical_system": "Cd-Te",
"density": 5.472512271905128,
"density_atomic": 0.02746227399879926,
"volume": 72.82718102978095,
"volume_molar": 21.928776765767132,
"formula_full": "Cd1 Te1",
"formula_reduced": "CdTe",
"formula_anonymous": "AB",
"energy": -5.404786929999999,
"energy_per_atom": -2.7023934649999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.98278693,
"band_gap": 0.5846000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0016615,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.026000Z",
"spacegroup": 216
},
{
"id": "mp-1018823",
"created_at": "2022-09-04T14:43:05.987260Z",
"structure_string": "Ni2 P2 Rh2\n1.0\n3.512054 0.000000 0.000000\n0.000000 3.512054 0.000000\n0.000000 0.000000 5.903996\nNi P Rh\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.752650 P\n0.500000 0.000000 0.247350 P\n0.000000 0.500000 0.366915 Rh\n0.500000 0.000000 0.633085 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ni",
"P",
"Rh"
],
"chemical_system": "Ni-P-Rh",
"density": 8.78224002956949,
"density_atomic": 0.08239157902555913,
"volume": 72.82297621870687,
"volume_molar": 7.309170222519755,
"formula_full": "Ni2 P2 Rh2",
"formula_reduced": "NiPRh",
"formula_anonymous": "ABC",
"energy": -41.01015758,
"energy_per_atom": -6.835026263333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.01015758,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.9e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:04.123000Z",
"spacegroup": 129
},
{
"id": "mp-973831",
"created_at": "2022-09-04T14:41:07.000452Z",
"structure_string": "Li1 Ho1 Pd2\n1.0\n0.000000 3.314447 3.314447\n3.314447 0.000000 3.314447\n3.314447 3.314447 0.000000\nLi Ho Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ho",
"Pd"
],
"chemical_system": "Ho-Li-Pd",
"density": 8.772448573179666,
"density_atomic": 0.05492837604654384,
"volume": 72.82210558365279,
"volume_molar": 10.963624256608478,
"formula_full": "Li1 Ho1 Pd2",
"formula_reduced": "LiHoPd2",
"formula_anonymous": "ABC2",
"energy": -19.6814374,
"energy_per_atom": -4.92035935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.6814374,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015141,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.949000Z",
"spacegroup": 225
}
]
}