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=elements&page=10365",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10363",
"results": [
{
"id": "mp-1218514",
"created_at": "2022-09-04T14:45:39.061002Z",
"structure_string": "Sr3 Ce1 Mn4 O12\n1.0\n-3.897559 3.897559 3.897559\n3.897559 -3.897559 3.897559\n3.897559 3.897559 -3.897559\nSr Ce Mn O\n3 1 4 12\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.516517 0.758259 0.758259 O\n0.000000 0.241741 0.758259 O\n0.000000 0.758259 0.241741 O\n0.483483 0.241741 0.241741 O\n0.758259 0.000000 0.241741 O\n0.241741 0.483483 0.241741 O\n0.241741 0.000000 0.758259 O\n0.758259 0.516517 0.758259 O\n0.758259 0.758259 0.516517 O\n0.241741 0.241741 0.483483 O\n0.241741 0.758259 0.000000 O\n0.758259 0.241741 0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ce",
"Mn",
"O"
],
"chemical_system": "Ce-Mn-O-Sr",
"density": 5.712417116743372,
"density_atomic": 0.08444849417956607,
"volume": 236.83074747873223,
"volume_molar": 7.131140488064703,
"formula_full": "Sr3 Ce1 Mn4 O12",
"formula_reduced": "Sr3CeMn4O12",
"formula_anonymous": "AB3C4D12",
"energy": -159.75697929,
"energy_per_atom": -7.9878489645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.84097929,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9983919,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.781000Z",
"spacegroup": 229
},
{
"id": "mp-1218672",
"created_at": "2022-09-04T14:46:53.235396Z",
"structure_string": "Sr4 Ce1 Mn5 O15\n1.0\n2.754091 8.274326 0.000000\n-2.754091 8.274326 0.000000\n0.000000 1.819536 6.463066\nSr Ce Mn O\n4 1 5 15\ndirect\n0.399242 0.399242 0.397699 Sr\n0.801392 0.801392 0.799832 Sr\n0.198608 0.198608 0.200168 Sr\n0.600758 0.600758 0.602301 Sr\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Mn\n0.200454 0.200454 0.698500 Mn\n0.600080 0.600080 0.100164 Mn\n0.399920 0.399920 0.899836 Mn\n0.799546 0.799546 0.301500 Mn\n0.711659 0.194227 0.711430 O\n0.899426 0.379574 0.904518 O\n0.288341 0.805773 0.288570 O\n0.100574 0.620426 0.095482 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.702090 0.702090 0.187587 O\n0.096058 0.096058 0.611376 O\n0.903942 0.903942 0.388624 O\n0.297910 0.297910 0.812413 O\n0.000000 0.500000 0.500000 O\n0.194227 0.711659 0.711430 O\n0.620426 0.100574 0.095482 O\n0.379574 0.899426 0.904518 O\n0.805773 0.288341 0.288570 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Sr",
"Ce",
"Mn",
"O"
],
"chemical_system": "Ce-Mn-O-Sr",
"density": 5.667029074276107,
"density_atomic": 0.08487123238094098,
"volume": 294.56388576742404,
"volume_molar": 7.095620731615952,
"formula_full": "Sr4 Ce1 Mn5 O15",
"formula_reduced": "Sr4CeMn5O15",
"formula_anonymous": "AB4C5D15",
"energy": -197.90140061,
"energy_per_atom": -7.9160560244,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -179.25640061,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.9830952,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43Z",
"spacegroup": 12
},
{
"id": "mp-1522970",
"created_at": "2022-09-04T14:40:35.374051Z",
"structure_string": "Sr8 Ce4 Nb4 O24\n1.0\n8.493273 0.000000 0.000000\n-0.000000 8.493273 0.000000\n0.000000 0.000000 8.493273\nSr Ce Nb O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Sr\n-0.000000 0.000000 -0.000000 Sr\n-0.000000 0.000000 0.500000 Sr\n-0.000000 0.500000 -0.000000 Sr\n0.500000 0.000000 -0.000000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n-0.000000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Ce\n0.750000 0.250000 0.250000 Ce\n0.250000 0.750000 0.250000 Ce\n0.250000 0.250000 0.750000 Ce\n0.250000 0.250000 0.250000 Nb\n0.250000 0.750000 0.750000 Nb\n0.750000 0.250000 0.750000 Nb\n0.750000 0.750000 0.250000 Nb\n0.215951 0.292886 0.483994 O\n0.215951 0.707114 0.516006 O\n0.784049 0.292886 0.516006 O\n0.784049 0.707114 0.483994 O\n0.292886 0.483994 0.215951 O\n0.707114 0.516006 0.215951 O\n0.292886 0.516006 0.784049 O\n0.707114 0.483994 0.784049 O\n0.483994 0.215951 0.292886 O\n0.516006 0.215951 0.707114 O\n0.516006 0.784049 0.292886 O\n0.483994 0.784049 0.707114 O\n0.284049 0.207114 0.016005 O\n0.284049 0.792886 0.983994 O\n0.715951 0.207114 0.983994 O\n0.715951 0.792886 0.016005 O\n0.207114 0.016005 0.284049 O\n0.792886 0.983994 0.284049 O\n0.207114 0.983994 0.715951 O\n0.792886 0.016005 0.715951 O\n0.016005 0.284049 0.207114 O\n0.983994 0.284049 0.792886 O\n0.983994 0.715951 0.207114 O\n0.016005 0.715951 0.792886 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Sr",
"Ce",
"Nb",
"O"
],
"chemical_system": "Ce-Nb-O-Sr",
"density": 5.466851864106375,
"density_atomic": 0.06528820668446106,
"volume": 612.6680763850758,
"volume_molar": 9.223933487873396,
"formula_full": "Sr8 Ce4 Nb4 O24",
"formula_reduced": "Sr2CeNbO6",
"formula_anonymous": "ABC2D6",
"energy": -330.78553555,
"energy_per_atom": -8.26963838875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -314.29753555,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0096659,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.095000Z",
"spacegroup": 201
},
{
"id": "mp-1522818",
"created_at": "2022-09-04T14:44:12.337526Z",
"structure_string": "Sr2 Ce1 Nb1 O6\n1.0\n0.000000 -4.281192 -4.281192\n4.281192 0.000000 -4.281192\n4.281192 -4.281192 -0.000000\nSr Ce Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 -0.000000 Ce\n0.500000 0.500000 0.500000 Nb\n0.737165 0.262835 0.262835 O\n0.262835 0.737165 0.737165 O\n0.737165 0.262835 0.737165 O\n0.262835 0.737165 0.262835 O\n0.737165 0.737165 0.262835 O\n0.262835 0.262835 0.737165 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Ce",
"Nb",
"O"
],
"chemical_system": "Ce-Nb-O-Sr",
"density": 5.335540918853599,
"density_atomic": 0.06372001783524728,
"volume": 156.93655368797485,
"volume_molar": 9.450940166982816,
"formula_full": "Sr2 Ce1 Nb1 O6",
"formula_reduced": "Sr2CeNbO6",
"formula_anonymous": "ABC2D6",
"energy": -82.08310524,
"energy_per_atom": -8.208310524,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.96110524,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999979,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.827000Z",
"spacegroup": 225
},
{
"id": "mp-1517357",
"created_at": "2022-09-04T14:39:58.658518Z",
"structure_string": "Sr2 Ce1 Ni1 O6\n1.0\n-0.000000 -4.058975 -4.058975\n4.058975 0.000000 -4.058975\n4.058975 -4.058975 -0.000000\nSr Ce Ni O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 -0.000000 -0.000000 Ce\n0.500000 0.500000 0.500000 Ni\n0.731675 0.268325 0.268325 O\n0.268325 0.731675 0.731675 O\n0.731675 0.268325 0.731675 O\n0.268325 0.731675 0.268325 O\n0.731675 0.731675 0.268325 O\n0.268325 0.268325 0.731675 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Ce",
"Ni",
"O"
],
"chemical_system": "Ce-Ni-O-Sr",
"density": 5.835931007545351,
"density_atomic": 0.07476887997984881,
"volume": 133.74548345107124,
"volume_molar": 8.054341273566017,
"formula_full": "Sr2 Ce1 Ni1 O6",
"formula_reduced": "Sr2CeNiO6",
"formula_anonymous": "ABC2D6",
"energy": -71.26067291999999,
"energy_per_atom": -7.126067291999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.59767292,
"band_gap": 1.3228999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.317000Z",
"spacegroup": 225
},
{
"id": "mp-1218498",
"created_at": "2022-09-04T14:42:22.837365Z",
"structure_string": "Sr4 Ce1 Pr1 O8\n1.0\n0.000000 0.000000 3.669513\n6.205433 -0.016450 0.000000\n-0.030069 10.438648 0.000000\nSr Ce Pr O\n4 1 1 8\ndirect\n0.500000 0.564699 0.821883 Sr\n0.500000 0.435301 0.178117 Sr\n0.500000 0.065838 0.677092 Sr\n0.500000 0.934162 0.322908 Sr\n0.000000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Pr\n0.000000 0.358703 0.691092 O\n0.000000 0.641297 0.308908 O\n0.000000 0.852050 0.793597 O\n0.000000 0.147950 0.206403 O\n0.500000 0.726109 0.540420 O\n0.500000 0.273891 0.459580 O\n0.500000 0.241077 0.956115 O\n0.500000 0.758923 0.043885 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Ce",
"Pr",
"O"
],
"chemical_system": "Ce-O-Pr-Sr",
"density": 5.3058474562125575,
"density_atomic": 0.05889881774122359,
"volume": 237.6957727998898,
"volume_molar": 10.224552870413683,
"formula_full": "Sr4 Ce1 Pr1 O8",
"formula_reduced": "Sr4CePrO8",
"formula_anonymous": "ABC4D8",
"energy": -102.89384314,
"energy_per_atom": -7.349560224285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.39784314,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9968288,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.729000Z",
"spacegroup": 10
},
{
"id": "mp-1218416",
"created_at": "2022-09-04T14:43:07.334994Z",
"structure_string": "Sr1 Ce2 S2 F4\n1.0\n-2.005971 2.005971 9.954059\n2.005971 -2.005971 9.954059\n2.005971 2.005971 -9.954059\nSr Ce S F\n1 2 2 4\ndirect\n0.500000 0.500000 0.000000 Sr\n0.842276 0.842276 0.000000 Ce\n0.157724 0.157724 0.000000 Ce\n0.301710 0.301710 0.000000 S\n0.698290 0.698290 0.000000 S\n0.925352 0.425352 0.500000 F\n0.425352 0.925352 0.500000 F\n0.074648 0.574648 0.500000 F\n0.574648 0.074648 0.500000 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Sr",
"Ce",
"S",
"F"
],
"chemical_system": "Ce-F-S-Sr",
"density": 5.264807034412552,
"density_atomic": 0.05617369697040807,
"volume": 160.2173345425554,
"volume_molar": 10.720570453414208,
"formula_full": "Sr1 Ce2 S2 F4",
"formula_reduced": "SrCe2(SF2)2",
"formula_anonymous": "AB2C2D4",
"energy": -61.51171952,
"energy_per_atom": -6.8346355022222225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.65771952,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.986884,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.197000Z",
"spacegroup": 139
},
{
"id": "mp-1518760",
"created_at": "2022-09-04T14:44:13.614208Z",
"structure_string": "Sr2 Ce1 Sb1 O6\n1.0\n0.000000 -4.289813 -4.289813\n4.289813 0.000000 -4.289813\n4.289813 -4.289813 -0.000000\nSr Ce Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 -0.000000 -0.000000 Ce\n0.500000 0.500000 0.500000 Sb\n0.733940 0.266060 0.266060 O\n0.266060 0.733940 0.733940 O\n0.733940 0.266060 0.733940 O\n0.266060 0.733940 0.266060 O\n0.733940 0.733940 0.266060 O\n0.266060 0.266060 0.733940 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Ce",
"Sb",
"O"
],
"chemical_system": "Ce-O-Sb-Sr",
"density": 5.606899903956077,
"density_atomic": 0.06333662556061842,
"volume": 157.88652949988895,
"volume_molar": 9.508149047562238,
"formula_full": "Sr2 Ce1 Sb1 O6",
"formula_reduced": "Sr2CeSbO6",
"formula_anonymous": "ABC2D6",
"energy": -72.46754432,
"energy_per_atom": -7.246754432,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.34554432,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.945934,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.225000Z",
"spacegroup": 225
},
{
"id": "mp-1518851",
"created_at": "2022-09-04T14:42:00.075606Z",
"structure_string": "Sr8 Ce4 Sb4 O24\n1.0\n8.516839 0.000000 0.000000\n0.000000 8.516839 -0.000000\n0.000000 0.000000 8.516839\nSr Ce Sb O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Sr\n-0.000000 0.000000 0.000000 Sr\n-0.000000 0.000000 0.500000 Sr\n-0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n-0.000000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Ce\n0.750000 0.250000 0.250000 Ce\n0.250000 0.750000 0.250000 Ce\n0.250000 0.250000 0.750000 Ce\n0.250000 0.250000 0.250000 Sb\n0.250000 0.750000 0.750000 Sb\n0.750000 0.250000 0.750000 Sb\n0.750000 0.750000 0.250000 Sb\n0.215133 0.292191 0.484374 O\n0.215133 0.707809 0.515626 O\n0.784867 0.292191 0.515626 O\n0.784867 0.707809 0.484374 O\n0.292191 0.484374 0.215133 O\n0.707809 0.515626 0.215133 O\n0.292191 0.515626 0.784867 O\n0.707809 0.484374 0.784867 O\n0.484374 0.215133 0.292191 O\n0.515626 0.215133 0.707809 O\n0.515626 0.784867 0.292191 O\n0.484374 0.784867 0.707809 O\n0.284867 0.207809 0.015626 O\n0.284867 0.792191 0.984374 O\n0.715133 0.207809 0.984374 O\n0.715133 0.792191 0.015626 O\n0.207809 0.015626 0.284867 O\n0.792191 0.984374 0.284867 O\n0.207809 0.984374 0.715133 O\n0.792191 0.015626 0.715133 O\n0.015626 0.284867 0.207809 O\n0.984374 0.284867 0.792191 O\n0.984374 0.715133 0.207809 O\n0.015626 0.715133 0.792191 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Sr",
"Ce",
"Sb",
"O"
],
"chemical_system": "Ce-O-Sb-Sr",
"density": 5.7318202222201835,
"density_atomic": 0.06474774963244721,
"volume": 617.7820885987162,
"volume_molar": 9.30092674137065,
"formula_full": "Sr8 Ce4 Sb4 O24",
"formula_reduced": "Sr2CeSbO6",
"formula_anonymous": "ABC2D6",
"energy": -291.98141318,
"energy_per_atom": -7.2995353295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -275.49341318,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9961131,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.554000Z",
"spacegroup": 201
},
{
"id": "mp-1218453",
"created_at": "2022-09-04T14:42:22.420863Z",
"structure_string": "Sr2 Ce2 Sc2 O8\n1.0\n2.858813 -6.206739 0.000000\n2.858813 6.206739 0.000000\n0.000000 0.000000 5.880533\nSr Ce Sc O\n2 2 2 8\ndirect\n0.895648 0.104352 0.485201 Sr\n0.104352 0.895648 0.985201 Sr\n0.607439 0.392561 0.516384 Ce\n0.392561 0.607439 0.016384 Ce\n0.244931 0.755069 0.504973 Sc\n0.755069 0.244931 0.004973 Sc\n0.971991 0.517366 0.258117 O\n0.028009 0.482634 0.758117 O\n0.517366 0.971991 0.758117 O\n0.482634 0.028009 0.258117 O\n0.916408 0.083592 0.065310 O\n0.566034 0.433966 0.911898 O\n0.083592 0.916408 0.565310 O\n0.433966 0.566034 0.411898 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Ce",
"Sc",
"O"
],
"chemical_system": "Ce-O-Sc-Sr",
"density": 5.35812403222978,
"density_atomic": 0.06708603385288758,
"volume": 208.6872512198364,
"volume_molar": 8.976742869023834,
"formula_full": "Sr2 Ce2 Sc2 O8",
"formula_reduced": "SrCeScO4",
"formula_anonymous": "ABCD4",
"energy": -117.87920083,
"energy_per_atom": -8.419942916428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.38320083,
"band_gap": 0.0615999999999994,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000809,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.706000Z",
"spacegroup": 36
},
{
"id": "mp-1521551",
"created_at": "2022-09-04T14:42:24.589502Z",
"structure_string": "Sr2 Ce1 Si1 O6\n1.0\n0.000000 -4.039275 -4.039275\n4.039275 -0.000000 -4.039275\n4.039275 -4.039275 -0.000000\nSr Ce Si O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n-0.000000 -0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Si\n0.725307 0.274693 0.274693 O\n0.274693 0.725307 0.725307 O\n0.725307 0.274693 0.725307 O\n0.274693 0.725307 0.274693 O\n0.725307 0.725307 0.274693 O\n0.274693 0.274693 0.725307 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Ce",
"Si",
"O"
],
"chemical_system": "Ce-O-Si-Sr",
"density": 5.536130865034004,
"density_atomic": 0.07586819285850561,
"volume": 131.80754178038782,
"volume_molar": 7.937635698310765,
"formula_full": "Sr2 Ce1 Si1 O6",
"formula_reduced": "Sr2CeSiO6",
"formula_anonymous": "ABC2D6",
"energy": -78.27369054,
"energy_per_atom": -7.827369054,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.15169054,
"band_gap": 1.763,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.029000Z",
"spacegroup": 225
},
{
"id": "mp-1519033",
"created_at": "2022-09-04T14:47:46.447358Z",
"structure_string": "Sr2 Ce1 Sn1 O6\n1.0\n0.000000 -4.275454 -4.275454\n4.275454 -0.000000 -4.275454\n4.275454 -4.275454 0.000000\nSr Ce Sn O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 -0.000000 -0.000000 Ce\n0.500000 0.500000 0.500000 Sn\n0.742161 0.257839 0.257839 O\n0.257839 0.742161 0.742161 O\n0.742161 0.257839 0.742161 O\n0.257839 0.742161 0.257839 O\n0.742161 0.742161 0.257839 O\n0.257839 0.257839 0.742161 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Ce",
"Sn",
"O"
],
"chemical_system": "Ce-O-Sn-Sr",
"density": 5.631179690661691,
"density_atomic": 0.06397691432883587,
"volume": 156.30638183956253,
"volume_molar": 9.412990331241534,
"formula_full": "Sr2 Ce1 Sn1 O6",
"formula_reduced": "Sr2CeSnO6",
"formula_anonymous": "ABC2D6",
"energy": -73.5921452,
"energy_per_atom": -7.35921452,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.4701452,
"band_gap": 2.3267,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.448000Z",
"spacegroup": 225
}
]
}