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=-formula_anonymous&page=118",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=116",
"results": [
{
"id": "mp-1521341",
"created_at": "2022-09-04T14:43:48.473989Z",
"structure_string": "K1 Ca1 Gd1 Se1 O6\n1.0\n0.000000 -4.059610 -4.059610\n4.059610 0.000000 -4.059610\n4.059610 -4.059610 0.000000\nK Ca Gd Se O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Se\n0.724728 0.275272 0.275272 O\n0.275272 0.724728 0.724728 O\n0.724728 0.275272 0.724728 O\n0.275272 0.724728 0.275272 O\n0.724728 0.724728 0.275272 O\n0.275272 0.275272 0.724728 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ca",
"Gd",
"Se",
"O"
],
"chemical_system": "Ca-Gd-K-O-Se",
"density": 5.10519323574571,
"density_atomic": 0.07473379965488357,
"volume": 133.80826408103738,
"volume_molar": 8.05812201147259,
"formula_full": "K1 Ca1 Gd1 Se1 O6",
"formula_reduced": "KCaGdSeO6",
"formula_anonymous": "ABCDE6",
"energy": -74.08699879,
"energy_per_atom": -7.408699878999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.96499879,
"band_gap": 2.0096,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.851000Z",
"spacegroup": 216
},
{
"id": "mp-1516204",
"created_at": "2022-09-04T14:42:29.544225Z",
"structure_string": "Ba2 Sr2 Sm2 Se2 O12\n1.0\n5.958362 0.009819 0.015663\n0.016457 5.965302 -0.023132\n0.030555 -0.024527 8.413925\nBa Sr Sm Se O\n2 2 2 2 12\ndirect\n0.995491 0.016279 0.247749 Ba\n0.004509 0.983721 0.752251 Ba\n0.504108 0.527245 0.248461 Sr\n0.495892 0.472755 0.751539 Sr\n0.500000 -0.000000 -0.000000 Sm\n0.000000 0.500000 0.500000 Sm\n0.000000 0.500000 -0.000000 Se\n0.500000 -0.000000 0.500000 Se\n0.211508 0.244778 0.973308 O\n0.300475 0.743513 0.530433 O\n0.788492 0.755222 0.026692 O\n0.699525 0.256487 0.469567 O\n0.260843 0.706200 0.965582 O\n0.249943 0.206515 0.520746 O\n0.739157 0.293800 0.034418 O\n0.750058 0.793485 0.479254 O\n0.456829 0.977885 0.272945 O\n0.062952 0.503626 0.233778 O\n0.543171 0.022115 0.727055 O\n0.937048 0.496374 0.766222 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Sm",
"Se",
"O"
],
"chemical_system": "Ba-O-Se-Sm-Sr",
"density": 6.110866729769457,
"density_atomic": 0.06687797084994207,
"volume": 299.0521354912987,
"volume_molar": 9.004670272535964,
"formula_full": "Ba2 Sr2 Sm2 Se2 O12",
"formula_reduced": "BaSrSmSeO6",
"formula_anonymous": "ABCDE6",
"energy": -135.55691171,
"energy_per_atom": -6.777845585500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.31291170999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.63e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.081000Z",
"spacegroup": 2
},
{
"id": "mp-1227368",
"created_at": "2022-09-04T14:46:37.272272Z",
"structure_string": "Ba1 Sr1 Mg1 W1 O6\n1.0\n0.000000 4.068012 4.068012\n4.068012 0.000000 4.068012\n4.068012 4.068012 0.000000\nBa Sr Mg W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 W\n0.759152 0.759152 0.240848 O\n0.240848 0.759152 0.240848 O\n0.759152 0.240848 0.240848 O\n0.240848 0.240848 0.759152 O\n0.759152 0.240848 0.759152 O\n0.240848 0.759152 0.759152 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Mg",
"W",
"O"
],
"chemical_system": "Ba-Mg-O-Sr-W",
"density": 6.525302743164759,
"density_atomic": 0.0742716937935745,
"volume": 134.64079636844278,
"volume_molar": 8.108258277692594,
"formula_full": "Ba1 Sr1 Mg1 W1 O6",
"formula_reduced": "BaSrMgWO6",
"formula_anonymous": "ABCDE6",
"energy": -77.46261282,
"energy_per_atom": -7.746261282000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.90261282,
"band_gap": 3.2391,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.71e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.242000Z",
"spacegroup": 216
},
{
"id": "mp-1518717",
"created_at": "2022-09-04T14:46:37.259228Z",
"structure_string": "Ca1 Eu1 Zr1 Ti1 O6\n1.0\n0.000000 -4.024785 -4.024785\n4.024785 0.000000 -4.024785\n4.024785 -4.024785 -0.000000\nCa Eu Zr Ti O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 0.000000 Ti\n0.757754 0.242246 0.242246 O\n0.242246 0.757754 0.757754 O\n0.757754 0.242246 0.757754 O\n0.242246 0.757754 0.242246 O\n0.757754 0.757754 0.242246 O\n0.242246 0.242246 0.757754 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Eu",
"Zr",
"Ti",
"O"
],
"chemical_system": "Ca-Eu-O-Ti-Zr",
"density": 5.439393903919052,
"density_atomic": 0.07669056672241831,
"volume": 130.39413356006384,
"volume_molar": 7.852518265769444,
"formula_full": "Ca1 Eu1 Zr1 Ti1 O6",
"formula_reduced": "CaEuZrTiO6",
"formula_anonymous": "ABCDE6",
"energy": -93.50248188,
"energy_per_atom": -9.350248188,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.38048187999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0027481,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.981000Z",
"spacegroup": 216
},
{
"id": "mp-1043975",
"created_at": "2022-09-04T14:46:37.982507Z",
"structure_string": "La2 Mg2 Fe2 W2 O12\n1.0\n-0.000034 5.457315 0.021409\n-0.000083 0.031013 8.107462\n5.578733 -0.000034 -0.000048\nLa Mg Fe W O\n2 2 2 2 12\ndirect\n0.995005 0.246186 0.049998 La\n0.495009 0.746181 0.450027 La\n0.522348 0.255146 0.552561 Mg\n0.022343 0.755148 0.947435 Mg\n0.498880 0.496562 0.004352 Fe\n0.998901 0.996567 0.495697 Fe\n0.502400 0.998813 0.990427 W\n0.002403 0.498815 0.509566 W\n0.648773 0.766495 0.041374 O\n0.148789 0.266501 0.458602 O\n0.187767 0.934160 0.185539 O\n0.687790 0.434144 0.314443 O\n0.160489 0.569805 0.209924 O\n0.660491 0.069791 0.290086 O\n0.900431 0.738398 0.575760 O\n0.400445 0.238401 0.924243 O\n0.284021 0.562529 0.720457 O\n0.784021 0.062517 0.779559 O\n0.299843 0.931931 0.724189 O\n0.799847 0.431907 0.775761 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Mg",
"Fe",
"W",
"O"
],
"chemical_system": "Fe-La-Mg-O-W",
"density": 6.712627017760604,
"density_atomic": 0.08102834945837697,
"volume": 246.82719238004094,
"volume_molar": 7.43214047954103,
"formula_full": "La2 Mg2 Fe2 W2 O12",
"formula_reduced": "LaMgFeWO6",
"formula_anonymous": "ABCDE6",
"energy": -167.8162232,
"energy_per_atom": -8.39081116,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.1842232,
"band_gap": 2.3537,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.31e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.767000Z",
"spacegroup": 7
},
{
"id": "mp-1519406",
"created_at": "2022-09-04T14:46:51.990427Z",
"structure_string": "Sr4 Pr4 Eu4 Nb4 O24\n1.0\n8.543427 0.000000 0.000000\n0.000000 8.553094 0.000000\n0.000000 0.000000 8.555928\nSr Pr Eu Nb O\n4 4 4 4 24\ndirect\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.500000 -0.000000 0.000000 Sr\n-0.000000 -0.000000 0.500000 Sr\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.250000 Pr\n0.750000 0.250000 0.750000 Pr\n0.250000 0.750000 0.750000 Pr\n0.500000 -0.000000 0.500000 Eu\n-0.000000 0.500000 -0.000000 Eu\n-0.000000 -0.000000 -0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.750000 0.750000 0.750000 Nb\n0.250000 0.250000 0.750000 Nb\n0.250000 0.750000 0.250000 Nb\n0.750000 0.250000 0.250000 Nb\n0.978674 0.200756 0.288738 O\n0.021326 0.799244 0.288738 O\n0.021326 0.200756 0.711262 O\n0.978674 0.799244 0.711262 O\n0.288421 0.978906 0.200776 O\n0.288421 0.021094 0.799224 O\n0.711579 0.021094 0.200776 O\n0.711579 0.978906 0.799224 O\n0.198925 0.290232 0.978774 O\n0.801075 0.290232 0.021226 O\n0.198925 0.709768 0.021226 O\n0.801075 0.709768 0.978774 O\n0.521326 0.299244 0.211262 O\n0.478674 0.700756 0.211262 O\n0.478674 0.299244 0.788738 O\n0.521326 0.700756 0.788738 O\n0.211579 0.521094 0.299224 O\n0.211579 0.478906 0.700776 O\n0.788421 0.478906 0.299224 O\n0.788421 0.521094 0.700776 O\n0.301075 0.209768 0.521226 O\n0.698925 0.209768 0.478774 O\n0.301075 0.790232 0.478774 O\n0.698925 0.790232 0.521226 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Sr",
"Pr",
"Eu",
"Nb",
"O"
],
"chemical_system": "Eu-Nb-O-Pr-Sr",
"density": 6.0492261938716405,
"density_atomic": 0.0639790094911242,
"volume": 625.2050526907453,
"volume_molar": 9.412682077917212,
"formula_full": "Sr4 Pr4 Eu4 Nb4 O24",
"formula_reduced": "SrPrEuNbO6",
"formula_anonymous": "ABCDE6",
"energy": -358.70622557,
"energy_per_atom": -8.967655639250001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -342.21822557,
"band_gap": 0.1548999999999996,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0397268,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.073000Z",
"spacegroup": 48
},
{
"id": "mp-1516809",
"created_at": "2022-09-04T14:45:58.469817Z",
"structure_string": "K1 Dy1 Sn1 W1 O6\n1.0\n-0.000000 -4.192466 -4.192466\n4.192466 0.000000 -4.192466\n4.192466 -4.192466 0.000000\nK Dy Sn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n-0.000000 -0.000000 0.000000 Dy\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 W\n0.732826 0.267174 0.267174 O\n0.267174 0.732826 0.732826 O\n0.732826 0.267174 0.732826 O\n0.267174 0.732826 0.267174 O\n0.732826 0.732826 0.267174 O\n0.267174 0.267174 0.732826 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Dy",
"Sn",
"W",
"O"
],
"chemical_system": "Dy-K-O-Sn-W",
"density": 6.76186396102622,
"density_atomic": 0.06785179738710236,
"volume": 147.38003096585405,
"volume_molar": 8.875432916895319,
"formula_full": "K1 Dy1 Sn1 W1 O6",
"formula_reduced": "KDySnWO6",
"formula_anonymous": "ABCDE6",
"energy": -77.22736979,
"energy_per_atom": -7.722736979,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.66736979,
"band_gap": 2.5226,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.002000Z",
"spacegroup": 216
},
{
"id": "mp-1521871",
"created_at": "2022-09-04T14:42:14.196749Z",
"structure_string": "Na1 Sr1 Pr1 Sb1 O6\n1.0\n0.000000 -4.305921 -4.305921\n4.305921 0.000000 -4.305921\n4.305921 -4.305921 0.000000\nNa Sr Pr Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Sr\n-0.000000 -0.000000 -0.000000 Pr\n0.500000 0.500000 0.500000 Sb\n0.730894 0.269106 0.269106 O\n0.269106 0.730894 0.730894 O\n0.730894 0.269106 0.730894 O\n0.269106 0.730894 0.269106 O\n0.730894 0.730894 0.269106 O\n0.269106 0.269106 0.730894 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Pr",
"Sb",
"O"
],
"chemical_system": "Na-O-Pr-Sb-Sr",
"density": 4.880308258834914,
"density_atomic": 0.06262847422884872,
"volume": 159.67178065777745,
"volume_molar": 9.615659385209812,
"formula_full": "Na1 Sr1 Pr1 Sb1 O6",
"formula_reduced": "NaSrPrSbO6",
"formula_anonymous": "ABCDE6",
"energy": -66.58877433,
"energy_per_atom": -6.658877433000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.46677433000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.530000Z",
"spacegroup": 216
},
{
"id": "mp-40802",
"created_at": "2022-09-04T14:46:26.378951Z",
"structure_string": "Ba1 Sr1 La1 Bi1 O6\n1.0\n0.000000 4.415668 4.415668\n4.415668 0.000000 4.415668\n4.415668 4.415668 0.000000\nBa Sr La Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.500000 Bi\n0.262687 0.262687 0.737313 O\n0.737313 0.262687 0.262687 O\n0.262687 0.737313 0.262687 O\n0.737313 0.262687 0.737313 O\n0.737313 0.737313 0.262687 O\n0.262687 0.737313 0.737313 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"La",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-La-O-Sr",
"density": 6.449783464220726,
"density_atomic": 0.058073869743291026,
"volume": 172.19448340886993,
"volume_molar": 10.369794171836993,
"formula_full": "Ba1 Sr1 La1 Bi1 O6",
"formula_reduced": "BaSrLaBiO6",
"formula_anonymous": "ABCDE6",
"energy": -67.00350302,
"energy_per_atom": -6.7003503019999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.88150302,
"band_gap": 1.8732,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000101,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.681000Z",
"spacegroup": 216
},
{
"id": "mp-1522043",
"created_at": "2022-09-04T14:45:58.412122Z",
"structure_string": "Sr1 Eu1 In1 Sn1 O6\n1.0\n-0.000000 -4.160821 -4.160821\n4.160821 0.000000 -4.160821\n4.160821 -4.160821 0.000000\nSr Eu In Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.000000 -0.000000 -0.000000 In\n0.500000 0.500000 0.500000 Sn\n0.745541 0.254459 0.254459 O\n0.254459 0.745541 0.745541 O\n0.745541 0.254459 0.745541 O\n0.254459 0.745541 0.254459 O\n0.745541 0.745541 0.254459 O\n0.254459 0.254459 0.745541 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"In",
"Sn",
"O"
],
"chemical_system": "Eu-In-O-Sn-Sr",
"density": 6.559594597893179,
"density_atomic": 0.06941173599036607,
"volume": 144.06785621077017,
"volume_molar": 8.675969090926982,
"formula_full": "Sr1 Eu1 In1 Sn1 O6",
"formula_reduced": "SrEuInSnO6",
"formula_anonymous": "ABCDE6",
"energy": -72.60983415,
"energy_per_atom": -7.260983415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.48783415,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.99974,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.004000Z",
"spacegroup": 216
},
{
"id": "mp-1521083",
"created_at": "2022-09-04T14:40:27.820275Z",
"structure_string": "K4 Sr4 Ce4 W4 O24\n1.0\n8.420866 0.000000 0.000000\n0.000000 8.470472 0.000000\n0.000000 0.000000 8.480115\nK Sr Ce W O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Ce\n0.250000 0.250000 0.750000 Ce\n0.250000 0.750000 0.250000 Ce\n0.750000 0.250000 0.250000 Ce\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.019884 0.225207 0.267209 O\n0.980116 0.774793 0.267209 O\n0.980116 0.225207 0.732791 O\n0.019884 0.774793 0.732791 O\n0.269236 0.010027 0.230749 O\n0.269236 0.989973 0.769251 O\n0.730764 0.989973 0.230749 O\n0.730764 0.010027 0.769251 O\n0.210371 0.267925 0.011225 O\n0.789629 0.267925 0.988775 O\n0.210371 0.732075 0.988775 O\n0.789629 0.732075 0.011225 O\n0.480116 0.274793 0.232791 O\n0.519884 0.725207 0.232791 O\n0.519884 0.274793 0.767209 O\n0.480116 0.725207 0.767209 O\n0.230764 0.489973 0.269251 O\n0.230764 0.510027 0.730749 O\n0.769236 0.510027 0.269251 O\n0.769236 0.489973 0.730749 O\n0.289629 0.232075 0.488775 O\n0.710371 0.232075 0.511225 O\n0.289629 0.767925 0.511225 O\n0.710371 0.767925 0.488775 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Sr",
"Ce",
"W",
"O"
],
"chemical_system": "Ce-K-O-Sr-W",
"density": 6.003005991188535,
"density_atomic": 0.06612929332878764,
"volume": 604.8756607926288,
"volume_molar": 9.10661592897806,
"formula_full": "K4 Sr4 Ce4 W4 O24",
"formula_reduced": "KSrCeWO6",
"formula_anonymous": "ABCDE6",
"energy": -322.26596052,
"energy_per_atom": -8.056649013000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -288.02596052,
"band_gap": 0.6406000000000005,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.339000Z",
"spacegroup": 48
},
{
"id": "mp-1521401",
"created_at": "2022-09-04T14:46:23.922588Z",
"structure_string": "Ca1 Sm1 Mn1 Sn1 O6\n1.0\n0.000000 -4.112062 -4.112062\n4.112062 0.000000 -4.112062\n4.112062 -4.112062 0.000000\nCa Sm Mn Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Sm\n-0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Sn\n0.771126 0.228874 0.228874 O\n0.228874 0.771126 0.771126 O\n0.771126 0.228874 0.771126 O\n0.228874 0.771126 0.228874 O\n0.771126 0.771126 0.228874 O\n0.228874 0.228874 0.771126 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Sm",
"Mn",
"Sn",
"O"
],
"chemical_system": "Ca-Mn-O-Sm-Sn",
"density": 5.493837404392519,
"density_atomic": 0.07191029028120849,
"volume": 139.06215592920765,
"volume_molar": 8.374518773947571,
"formula_full": "Ca1 Sm1 Mn1 Sn1 O6",
"formula_reduced": "CaSmMnSnO6",
"formula_anonymous": "ABCDE6",
"energy": -72.17133179000001,
"energy_per_atom": -7.217133179000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.38133179,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000745,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.757000Z",
"spacegroup": 216
}
]
}