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=id&page=102",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=100",
"results": [
{
"id": "mp-1016932",
"created_at": "2022-09-04T14:47:10.692888Z",
"structure_string": "Mn1 Zn1 O3\n1.0\n3.738769 0.000000 0.000000\n0.000000 3.738769 0.000000\n0.000000 0.000000 3.738769\nMn Zn O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"O"
],
"chemical_system": "Mn-O-Zn",
"density": 5.348894748303294,
"density_atomic": 0.09567183526876244,
"volume": 52.26198479368501,
"volume_molar": 6.294580576491013,
"formula_full": "Mn1 Zn1 O3",
"formula_reduced": "MnZnO3",
"formula_anonymous": "ABC3",
"energy": -31.55699765,
"energy_per_atom": -6.31139953,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.82799765,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1400626,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.189000Z",
"spacegroup": 221
},
{
"id": "mp-1016938",
"created_at": "2022-09-04T14:45:40.923439Z",
"structure_string": "V1 Hg1 O3\n1.0\n3.864387 0.000000 0.000000\n0.000000 3.864387 0.000000\n0.000000 0.000000 3.864387\nV Hg O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"V",
"Hg",
"O"
],
"chemical_system": "Hg-O-V",
"density": 8.618806919094467,
"density_atomic": 0.08664193979426017,
"volume": 57.7087725860362,
"volume_molar": 6.950607031998784,
"formula_full": "V1 Hg1 O3",
"formula_reduced": "VHgO3",
"formula_anonymous": "ABC3",
"energy": -31.73990919,
"energy_per_atom": -6.347981838,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.97890919,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8130226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.863000Z",
"spacegroup": 221
},
{
"id": "mp-1016999",
"created_at": "2022-09-04T14:47:05.641101Z",
"structure_string": "Sr1 Ge1 O3\n1.0\n3.856810 0.000000 0.000000\n0.000000 3.856810 0.000000\n0.000000 0.000000 3.856810\nSr Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"O"
],
"chemical_system": "Ge-O-Sr",
"density": 6.027906042529566,
"density_atomic": 0.0871535879228583,
"volume": 57.36998463477624,
"volume_molar": 6.909802457393195,
"formula_full": "Sr1 Ge1 O3",
"formula_reduced": "SrGeO3",
"formula_anonymous": "ABC3",
"energy": -34.12384665,
"energy_per_atom": -6.82476933,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.06284665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001808,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:51.318000Z",
"spacegroup": 221
},
{
"id": "mp-1017",
"created_at": "2022-09-04T14:43:01.178544Z",
"structure_string": "Zr6 O2\n1.0\n2.833853 -4.908377 0.000000\n2.833853 4.908377 0.000000\n0.000000 0.000000 5.234669\nZr O\n6 2\ndirect\n0.000000 0.661580 0.500000 Zr\n0.000000 0.338420 0.000000 Zr\n0.661580 0.661580 0.000000 Zr\n0.661580 0.000000 0.500000 Zr\n0.338420 0.338420 0.500000 Zr\n0.338420 0.000000 0.000000 Zr\n0.666667 0.333333 0.750000 O\n0.333333 0.666667 0.250000 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 6.606177820009824,
"density_atomic": 0.05493581034432446,
"volume": 145.62450157480015,
"volume_molar": 10.962140582353603,
"formula_full": "Zr6 O2",
"formula_reduced": "Zr3O",
"formula_anonymous": "AB3",
"energy": -73.51082713999999,
"energy_per_atom": -9.188853392499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.13682714,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0077022,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.537000Z",
"spacegroup": 182
},
{
"id": "mp-1017000",
"created_at": "2022-09-04T14:48:24.032469Z",
"structure_string": "Mg1 Zr1 O3\n1.0\n4.133326 0.000000 0.000000\n0.000000 4.133326 0.000000\n0.000000 0.000000 4.133326\nMg Zr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Zr\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Zr",
"O"
],
"chemical_system": "Mg-O-Zr",
"density": 3.845387571401235,
"density_atomic": 0.07080615714002171,
"volume": 70.61532784659279,
"volume_molar": 8.505108882114591,
"formula_full": "Mg1 Zr1 O3",
"formula_reduced": "MgZrO3",
"formula_anonymous": "ABC3",
"energy": -39.20171549,
"energy_per_atom": -7.840343098,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.14071549,
"band_gap": 2.0552,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008381,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:17.079000Z",
"spacegroup": 221
},
{
"id": "mp-1017021",
"created_at": "2022-09-04T14:45:30.001837Z",
"structure_string": "Mg12 Cd2 W2\n1.0\n4.947618 0.000000 0.000000\n0.000000 6.173290 0.000000\n0.000000 0.000000 10.655286\nMg Cd W\n12 2 2\ndirect\n0.000000 0.251579 0.082501 Mg\n0.000000 0.748421 0.082501 Mg\n0.000000 0.500000 0.834467 Mg\n0.500000 0.235708 0.911229 Mg\n0.500000 0.764292 0.911229 Mg\n0.500000 0.500000 0.666675 Mg\n0.000000 0.751579 0.582501 Mg\n0.000000 0.248421 0.582501 Mg\n0.000000 0.000000 0.334467 Mg\n0.500000 0.735708 0.411229 Mg\n0.500000 0.264292 0.411229 Mg\n0.500000 0.000000 0.166675 Mg\n0.500000 0.500000 0.173682 Cd\n0.500000 0.000000 0.673682 Cd\n0.000000 0.500000 0.337716 W\n0.000000 0.000000 0.837716 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"W"
],
"chemical_system": "Cd-Mg-W",
"density": 4.511313332008204,
"density_atomic": 0.049163413776582336,
"volume": 325.44526042699596,
"volume_molar": 12.24923229978892,
"formula_full": "Mg12 Cd2 W2",
"formula_reduced": "Mg6CdW",
"formula_anonymous": "ABC6",
"energy": -42.61916994,
"energy_per_atom": -2.66369812125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.61916994,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0203429,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.040000Z",
"spacegroup": 38
},
{
"id": "mp-1017022",
"created_at": "2022-09-04T14:40:07.308107Z",
"structure_string": "Mg12 Sb2 W2\n1.0\n5.189201 0.000000 0.000000\n0.000000 5.913558 0.000000\n0.000000 0.000000 10.745313\nMg Sb W\n12 2 2\ndirect\n0.500000 0.248290 0.417368 Mg\n0.500000 0.751710 0.417368 Mg\n0.000000 0.761767 0.084806 Mg\n0.000000 0.238233 0.084806 Mg\n0.000000 0.000000 0.324743 Mg\n0.000000 0.500000 0.335074 Mg\n0.500000 0.748290 0.917368 Mg\n0.500000 0.251710 0.917368 Mg\n0.000000 0.261767 0.584806 Mg\n0.000000 0.738233 0.584806 Mg\n0.000000 0.500000 0.824743 Mg\n0.000000 0.000000 0.835074 Mg\n0.500000 0.500000 0.169586 Sb\n0.500000 0.000000 0.669586 Sb\n0.500000 0.000000 0.166245 W\n0.500000 0.500000 0.666245 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"W"
],
"chemical_system": "Mg-Sb-W",
"density": 4.546750106996421,
"density_atomic": 0.04852343735124358,
"volume": 329.737563400173,
"volume_molar": 12.410787629095411,
"formula_full": "Mg12 Sb2 W2",
"formula_reduced": "Mg6SbW",
"formula_anonymous": "ABC6",
"energy": -49.41857938,
"energy_per_atom": -3.08866121125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.41857938,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0079483,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.521000Z",
"spacegroup": 38
},
{
"id": "mp-1017033",
"created_at": "2022-09-04T14:46:04.101845Z",
"structure_string": "Hf2 Mg12 W2\n1.0\n4.917337 0.000000 0.000000\n0.000000 6.093239 0.000000\n0.000000 0.000000 11.128415\nHf Mg W\n2 12 2\ndirect\n0.500000 0.500000 0.197759 Hf\n0.500000 0.000000 0.697759 Hf\n0.000000 0.746578 0.073949 Mg\n0.000000 0.253422 0.073949 Mg\n0.000000 0.000000 0.326461 Mg\n0.500000 0.257084 0.427409 Mg\n0.500000 0.742916 0.427409 Mg\n0.500000 0.000000 0.169961 Mg\n0.000000 0.246578 0.573949 Mg\n0.000000 0.753422 0.573949 Mg\n0.000000 0.500000 0.826461 Mg\n0.500000 0.757084 0.927409 Mg\n0.500000 0.242916 0.927409 Mg\n0.500000 0.500000 0.669961 Mg\n0.000000 0.500000 0.303103 W\n0.000000 0.000000 0.803103 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"W"
],
"chemical_system": "Hf-Mg-W",
"density": 5.061369813844963,
"density_atomic": 0.04798532976688083,
"volume": 333.43524109827206,
"volume_molar": 12.549962226489571,
"formula_full": "Hf2 Mg12 W2",
"formula_reduced": "HfMg6W",
"formula_anonymous": "ABC6",
"energy": -61.10596571,
"energy_per_atom": -3.819122856875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.10596571,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000946,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.713000Z",
"spacegroup": 38
},
{
"id": "mp-1017034",
"created_at": "2022-09-04T14:40:34.024192Z",
"structure_string": "Mg12 Ga2 W2\n1.0\n4.837005 0.000000 0.000000\n0.000000 6.167122 0.000000\n0.000000 0.000000 10.528626\nMg Ga W\n12 2 2\ndirect\n0.000000 0.253449 0.082426 Mg\n0.000000 0.746551 0.082426 Mg\n0.000000 0.500000 0.833936 Mg\n0.500000 0.236096 0.911243 Mg\n0.500000 0.763904 0.911243 Mg\n0.500000 0.500000 0.666280 Mg\n0.000000 0.753449 0.582426 Mg\n0.000000 0.246551 0.582426 Mg\n0.000000 0.000000 0.333936 Mg\n0.500000 0.736096 0.411243 Mg\n0.500000 0.263904 0.411243 Mg\n0.500000 0.000000 0.166280 Mg\n0.500000 0.500000 0.184391 Ga\n0.500000 0.000000 0.684391 Ga\n0.000000 0.500000 0.328054 W\n0.000000 0.000000 0.828054 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"W"
],
"chemical_system": "Ga-Mg-W",
"density": 4.223269217846522,
"density_atomic": 0.05094355024957573,
"volume": 314.0731244998625,
"volume_molar": 11.821203529194854,
"formula_full": "Mg12 Ga2 W2",
"formula_reduced": "Mg6GaW",
"formula_anonymous": "ABC6",
"energy": -47.60402063,
"energy_per_atom": -2.975251289375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.60402063,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0082026,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.905000Z",
"spacegroup": 38
},
{
"id": "mp-1017035",
"created_at": "2022-09-04T14:41:54.702365Z",
"structure_string": "Mg12 Sb2 W2\n1.0\n5.014730 0.000000 0.000000\n0.000000 6.191607 0.000000\n0.000000 0.000000 10.530307\nMg Sb W\n12 2 2\ndirect\n0.000000 0.244170 0.080868 Mg\n0.000000 0.755830 0.080868 Mg\n0.000000 0.500000 0.833932 Mg\n0.500000 0.238924 0.914743 Mg\n0.500000 0.761076 0.914743 Mg\n0.500000 0.500000 0.666355 Mg\n0.000000 0.744170 0.580868 Mg\n0.000000 0.255830 0.580868 Mg\n0.000000 0.000000 0.333932 Mg\n0.500000 0.738924 0.414743 Mg\n0.500000 0.261076 0.414743 Mg\n0.500000 0.000000 0.166355 Mg\n0.500000 0.500000 0.177023 Sb\n0.500000 0.000000 0.677023 Sb\n0.000000 0.500000 0.331467 W\n0.000000 0.000000 0.831467 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"W"
],
"chemical_system": "Mg-Sb-W",
"density": 4.5854033061722905,
"density_atomic": 0.04893594871529443,
"volume": 326.9580016336613,
"volume_molar": 12.306169427788864,
"formula_full": "Mg12 Sb2 W2",
"formula_reduced": "Mg6SbW",
"formula_anonymous": "ABC6",
"energy": -50.30548613,
"energy_per_atom": -3.144092883125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.30548613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0087216,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.340000Z",
"spacegroup": 38
},
{
"id": "mp-1017036",
"created_at": "2022-09-04T14:45:54.835226Z",
"structure_string": "Mg12 Bi2 W2\n1.0\n5.107200 0.000000 0.000000\n0.000000 6.242887 0.000000\n0.000000 0.000000 10.638192\nMg Bi W\n12 2 2\ndirect\n0.000000 0.241401 0.080646 Mg\n0.000000 0.758599 0.080646 Mg\n0.000000 0.500000 0.834448 Mg\n0.500000 0.236800 0.914027 Mg\n0.500000 0.763200 0.914027 Mg\n0.500000 0.500000 0.666427 Mg\n0.000000 0.741401 0.580646 Mg\n0.000000 0.258599 0.580646 Mg\n0.000000 0.000000 0.334448 Mg\n0.500000 0.736800 0.414027 Mg\n0.500000 0.263200 0.414027 Mg\n0.500000 0.000000 0.166427 Mg\n0.500000 0.500000 0.172485 Bi\n0.500000 0.000000 0.672485 Bi\n0.000000 0.500000 0.337293 W\n0.000000 0.000000 0.837293 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Bi",
"W"
],
"chemical_system": "Bi-Mg-W",
"density": 5.274118898366976,
"density_atomic": 0.04717194885873012,
"volume": 339.1846295754405,
"volume_molar": 12.766359893323513,
"formula_full": "Mg12 Bi2 W2",
"formula_reduced": "Mg6BiW",
"formula_anonymous": "ABC6",
"energy": -48.63948566,
"energy_per_atom": -3.03996785375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.63948566,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003201,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.381000Z",
"spacegroup": 38
},
{
"id": "mp-1017037",
"created_at": "2022-09-04T14:46:29.180912Z",
"structure_string": "Mg12 Cd2 Ga2\n1.0\n5.009100 0.000000 0.000000\n0.000000 6.418970 0.000000\n0.000000 0.000000 10.783931\nMg Cd Ga\n12 2 2\ndirect\n0.500000 0.250174 0.583949 Mg\n0.500000 0.749826 0.583949 Mg\n0.000000 0.246993 0.414935 Mg\n0.000000 0.753007 0.414935 Mg\n0.000000 0.000000 0.667046 Mg\n0.000000 0.000000 0.169031 Mg\n0.500000 0.750174 0.083949 Mg\n0.500000 0.249826 0.083949 Mg\n0.000000 0.746993 0.914935 Mg\n0.000000 0.253007 0.914935 Mg\n0.000000 0.500000 0.167046 Mg\n0.000000 0.500000 0.669031 Mg\n0.500000 0.000000 0.833377 Cd\n0.500000 0.500000 0.333377 Cd\n0.500000 0.000000 0.332783 Ga\n0.500000 0.500000 0.832783 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Ga"
],
"chemical_system": "Cd-Ga-Mg",
"density": 3.1412544693708817,
"density_atomic": 0.04614427579628959,
"volume": 346.73856559444675,
"volume_molar": 13.05067780581407,
"formula_full": "Mg12 Cd2 Ga2",
"formula_reduced": "Mg6CdGa",
"formula_anonymous": "ABC6",
"energy": -27.86464404,
"energy_per_atom": -1.7415402525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.86464404,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031501,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.788000Z",
"spacegroup": 38
}
]
}