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=1765",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=1763",
"results": [
{
"id": "mp-1094052",
"created_at": "2022-09-04T14:43:57.849639Z",
"structure_string": "Sm3 Al1 N1\n1.0\n4.916424 0.000000 0.000000\n0.000000 4.916424 0.000000\n0.000000 0.000000 4.916424\nSm Al N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Sm\n0.500000 0.000000 0.500000 Sm\n0.000000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Al",
"N"
],
"chemical_system": "Al-N-Sm",
"density": 6.875850746771172,
"density_atomic": 0.04207479553438159,
"volume": 118.83599044264467,
"volume_molar": 14.312941235992419,
"formula_full": "Sm3 Al1 N1",
"formula_reduced": "Sm3AlN",
"formula_anonymous": "ABC3",
"energy": -30.68155315,
"energy_per_atom": -6.13631063,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.32055315,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0082873,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.485000Z",
"spacegroup": 221
},
{
"id": "mp-8275",
"created_at": "2022-09-04T14:42:54.186911Z",
"structure_string": "Cd2 Ge2 O6\n1.0\n5.302098 -2.597206 0.000000\n5.302098 2.597206 0.000000\n4.029871 0.000000 4.314843\nCd Ge O\n2 2 6\ndirect\n0.632572 0.632572 0.632572 Cd\n0.367428 0.367428 0.367428 Cd\n0.840468 0.840468 0.840468 Ge\n0.159532 0.159532 0.159532 Ge\n0.812245 0.034953 0.439688 O\n0.439688 0.812245 0.034953 O\n0.034953 0.439688 0.812245 O\n0.187755 0.965047 0.560312 O\n0.965047 0.560312 0.187755 O\n0.560312 0.187755 0.965047 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cd",
"Ge",
"O"
],
"chemical_system": "Cd-Ge-O",
"density": 6.512947354272025,
"density_atomic": 0.08414936790911526,
"volume": 118.83630558937064,
"volume_molar": 7.156489596575647,
"formula_full": "Cd2 Ge2 O6",
"formula_reduced": "CdGeO3",
"formula_anonymous": "ABC3",
"energy": -59.21550844000001,
"energy_per_atom": -5.921550844,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.09350844,
"band_gap": 1.4099,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.791000Z",
"spacegroup": 148
},
{
"id": "mp-1080679",
"created_at": "2022-09-04T14:44:14.083585Z",
"structure_string": "Li1 Ta1 F6\n1.0\n4.854745 -2.733545 0.000000\n4.854745 2.733545 0.000000\n3.315577 0.000000 4.477474\nLi Ta F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ta\n0.316775 0.165449 0.759563 F\n0.759563 0.316775 0.165449 F\n0.165449 0.759563 0.316775 F\n0.683225 0.834551 0.240437 F\n0.240437 0.683225 0.834551 F\n0.834551 0.240437 0.683225 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Ta",
"F"
],
"chemical_system": "F-Li-Ta",
"density": 4.218195571972511,
"density_atomic": 0.06731847480426577,
"volume": 118.83810533825499,
"volume_molar": 8.945747474983486,
"formula_full": "Li1 Ta1 F6",
"formula_reduced": "LiTaF6",
"formula_anonymous": "ABC6",
"energy": -53.87084205,
"energy_per_atom": -6.73385525625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.09884205,
"band_gap": 6.196400000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.316000Z",
"spacegroup": 148
},
{
"id": "mp-5853",
"created_at": "2022-09-04T14:40:06.839454Z",
"structure_string": "Li2 Si4 N6\n1.0\n2.663412 -4.636527 0.000000\n2.663412 4.636527 0.000000\n0.000000 0.000000 4.811728\nLi Si N\n2 4 6\ndirect\n0.659467 0.659467 0.999226 Li\n0.340533 0.340533 0.499226 Li\n0.328943 0.997479 0.986943 Si\n0.671057 0.002521 0.486943 Si\n0.002521 0.671057 0.486943 Si\n0.997479 0.328943 0.986943 Si\n0.337729 0.940949 0.625426 N\n0.662271 0.059051 0.125426 N\n0.274321 0.274321 0.065758 N\n0.725679 0.725679 0.565758 N\n0.940949 0.337729 0.625426 N\n0.059051 0.662271 0.125426 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Si",
"N"
],
"chemical_system": "Li-N-Si",
"density": 2.938002914841888,
"density_atomic": 0.10097620296321953,
"volume": 118.8398815547757,
"volume_molar": 5.963920788538224,
"formula_full": "Li2 Si4 N6",
"formula_reduced": "LiSi2N3",
"formula_anonymous": "AB2C3",
"energy": -91.436672,
"energy_per_atom": -7.619722666666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.270672,
"band_gap": 4.7989,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.25e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.187000Z",
"spacegroup": 36
},
{
"id": "mp-1210387",
"created_at": "2022-09-04T14:43:08.990586Z",
"structure_string": "Na2 Al1 Ge2\n1.0\n2.900073 0.000000 0.000000\n0.000000 2.900073 0.000000\n0.000000 0.000000 14.130289\nNa Al Ge\n2 1 2\ndirect\n0.500000 0.500000 0.610453 Na\n0.500000 0.500000 0.389547 Na\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.183034 Ge\n0.500000 0.500000 0.816966 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Na",
"density": 3.0494161048971553,
"density_atomic": 0.04207276939983329,
"volume": 118.84171332966288,
"volume_molar": 14.313630516615962,
"formula_full": "Na2 Al1 Ge2",
"formula_reduced": "Na2AlGe2",
"formula_anonymous": "AB2C2",
"energy": -14.13489726,
"energy_per_atom": -2.8269794520000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.13489726,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001067,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.634000Z",
"spacegroup": 123
},
{
"id": "mp-18971",
"created_at": "2022-09-04T14:46:54.948363Z",
"structure_string": "Mn1 Pt3 O6\n1.0\n3.242206 0.000000 0.000000\n0.000000 5.885343 -2.034251\n0.000000 0.003371 6.226992\nMn Pt O\n1 3 6\ndirect\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Pt\n0.499999 0.500000 0.000000 Pt\n0.499999 0.000001 0.500000 Pt\n0.000000 0.917052 0.661625 O\n0.000000 0.082949 0.338375 O\n0.000000 0.661625 0.917052 O\n0.000000 0.338376 0.082949 O\n0.499999 0.347768 0.652234 O\n0.499999 0.652233 0.347767 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"Pt",
"O"
],
"chemical_system": "Mn-O-Pt",
"density": 10.286436898177108,
"density_atomic": 0.08414494909789828,
"volume": 118.84254619211332,
"volume_molar": 7.1568654144570845,
"formula_full": "Mn1 Pt3 O6",
"formula_reduced": "Mn(PtO2)3",
"formula_anonymous": "AB3C6",
"energy": -68.95279779,
"energy_per_atom": -6.895279779000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.16279779,
"band_gap": 0.1531000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0000613,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.011000Z",
"spacegroup": 65
},
{
"id": "mp-1207927",
"created_at": "2022-09-04T14:40:01.180457Z",
"structure_string": "U2 Cu2 Si2\n1.0\n2.115285 -3.663781 0.000000\n2.115285 3.663781 0.000000\n0.000000 0.000000 7.667530\nU Cu Si\n2 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Cu",
"Si"
],
"chemical_system": "Cu-Si-U",
"density": 9.212171450958248,
"density_atomic": 0.050485582908268246,
"volume": 118.84581011775055,
"volume_molar": 11.928436621088768,
"formula_full": "U2 Cu2 Si2",
"formula_reduced": "UCuSi",
"formula_anonymous": "ABC",
"energy": -42.25608011,
"energy_per_atom": -7.042680018333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.39808011,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9522123,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.840000Z",
"spacegroup": 194
},
{
"id": "mp-1094455",
"created_at": "2022-09-04T14:47:30.599698Z",
"structure_string": "Mg4 Zn2\n1.0\n1.565271 5.496127 0.000000\n-1.565271 5.496127 0.000000\n0.000000 1.505170 6.907765\nMg Zn\n4 2\ndirect\n0.004542 0.004542 0.006079 Mg\n0.335233 0.335233 0.340684 Mg\n0.658236 0.658236 0.657627 Mg\n0.280581 0.280581 0.939596 Mg\n0.610641 0.610641 0.281033 Zn\n0.944100 0.944100 0.608315 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 3.185975795314118,
"density_atomic": 0.05048209869573924,
"volume": 118.85401270978475,
"volume_molar": 11.929259907152547,
"formula_full": "Mg4 Zn2",
"formula_reduced": "Mg2Zn",
"formula_anonymous": "AB2",
"energy": -8.93471894,
"energy_per_atom": -1.4891198233333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.93471894,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.801000Z",
"spacegroup": 8
},
{
"id": "mp-1216739",
"created_at": "2022-09-04T14:44:54.486875Z",
"structure_string": "Ti1 P4 W3\n1.0\n3.280198 0.000000 0.000000\n0.000000 5.752296 0.000000\n0.000000 0.020491 6.299042\nTi P W\n1 4 3\ndirect\n0.500000 0.509197 0.309315 Ti\n0.500000 0.689396 0.930780 P\n0.500000 0.190570 0.565972 P\n0.000000 0.310400 0.066998 P\n0.000000 0.814015 0.437627 P\n0.500000 0.007630 0.189537 W\n0.000000 0.488869 0.688299 W\n0.000000 0.989923 0.811472 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"P",
"W"
],
"chemical_system": "P-Ti-W",
"density": 10.105108805727262,
"density_atomic": 0.06730916417738607,
"volume": 118.85454377232884,
"volume_molar": 8.94698490703182,
"formula_full": "Ti1 P4 W3",
"formula_reduced": "TiP4W3",
"formula_anonymous": "AB3C4",
"energy": -73.03050408,
"energy_per_atom": -9.12881301,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.03050408,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026033,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.122000Z",
"spacegroup": 6
},
{
"id": "mp-1184288",
"created_at": "2022-09-04T14:43:21.620317Z",
"structure_string": "Eu2 Zn1 Cd1\n1.0\n0.000000 3.902430 3.902430\n3.902430 0.000000 3.902430\n3.902430 3.902430 0.000000\nEu Zn Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Eu",
"Zn",
"Cd"
],
"chemical_system": "Cd-Eu-Zn",
"density": 6.730288131100714,
"density_atomic": 0.03365306549885201,
"volume": 118.8599000033578,
"volume_molar": 17.89477621349363,
"formula_full": "Eu2 Zn1 Cd1",
"formula_reduced": "Eu2ZnCd",
"formula_anonymous": "ABC2",
"energy": -23.91176135,
"energy_per_atom": -5.9779403375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.91176135,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.1449102,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.191000Z",
"spacegroup": 225
},
{
"id": "mp-1094637",
"created_at": "2022-09-04T14:43:58.491182Z",
"structure_string": "Mg3 Ga3\n1.0\n2.640173 -4.701187 0.000000\n2.640173 4.701187 0.000000\n0.000000 0.000000 4.788207\nMg Ga\n3 3\ndirect\n0.656751 0.656751 0.000000 Mg\n0.011762 0.672318 0.500000 Mg\n0.672318 0.011762 0.500000 Mg\n0.994658 0.327698 0.000000 Ga\n0.327698 0.994658 0.000000 Ga\n0.336814 0.336814 0.500000 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 3.94080300828051,
"density_atomic": 0.05047873065788482,
"volume": 118.8619428777731,
"volume_molar": 11.93005585028382,
"formula_full": "Mg3 Ga3",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
"energy": -14.31934224,
"energy_per_atom": -2.38655704,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.31934224,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.008077,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.267000Z",
"spacegroup": 38
},
{
"id": "mp-1076927",
"created_at": "2022-09-04T14:44:23.499278Z",
"structure_string": "Gd1 Pb3\n1.0\n4.916860 0.000000 0.000000\n0.000000 4.916860 0.000000\n0.000000 0.000000 4.916860\nGd Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Gd",
"Pb"
],
"chemical_system": "Gd-Pb",
"density": 10.880263013873678,
"density_atomic": 0.03365088291610056,
"volume": 118.86760920873684,
"volume_molar": 17.895936861492135,
"formula_full": "Gd1 Pb3",
"formula_reduced": "GdPb3",
"formula_anonymous": "AB3",
"energy": -26.54658646,
"energy_per_atom": -6.636646615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.54658646,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.8426592,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:26.489000Z",
"spacegroup": 221
}
]
}