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=-spacegroup&page=36",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=34",
"results": [
{
"id": "mp-1202694",
"created_at": "2022-09-04T14:46:41.005531Z",
"structure_string": "Y6 Al4 Ni12 H18\n1.0\n-4.589257 4.589257 4.589257\n4.589257 -4.589257 4.589257\n4.589257 4.589257 -4.589257\nY Al Ni H\n6 4 12 18\ndirect\n0.731156 0.731156 0.000000 Y\n0.268844 0.000000 0.268844 Y\n0.000000 0.268844 0.268844 Y\n0.268844 0.268844 0.000000 Y\n0.731156 0.000000 0.731156 Y\n0.000000 0.731156 0.731156 Y\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.339217 0.339217 0.678433 Ni\n0.660783 0.000000 0.339217 Ni\n0.000000 0.660783 0.339217 Ni\n0.660783 0.339217 0.000000 Ni\n0.339217 0.678433 0.339217 Ni\n0.000000 0.339217 0.660783 Ni\n0.339217 0.660783 0.000000 Ni\n0.339217 0.000000 0.660783 Ni\n0.678433 0.339217 0.339217 Ni\n0.660783 0.660783 0.321567 Ni\n0.660783 0.321567 0.660783 Ni\n0.321567 0.660783 0.660783 Ni\n0.000000 0.000000 0.734770 H\n0.000000 0.734770 0.000000 H\n0.734770 0.000000 0.000000 H\n0.265230 0.265230 0.265230 H\n0.000000 0.000000 0.265230 H\n0.000000 0.265230 0.000000 H\n0.265230 0.000000 0.000000 H\n0.734770 0.734770 0.734770 H\n0.500000 0.750000 0.250000 H\n0.250000 0.750000 0.500000 H\n0.250000 0.500000 0.750000 H\n0.500000 0.250000 0.750000 H\n0.750000 0.500000 0.250000 H\n0.750000 0.250000 0.500000 H\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 H\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Y",
"Al",
"Ni",
"H"
],
"chemical_system": "Al-H-Ni-Y",
"density": 5.8576120921610215,
"density_atomic": 0.10346009263888481,
"volume": 386.6225032256182,
"volume_molar": 5.820737838520568,
"formula_full": "Y6 Al4 Ni12 H18",
"formula_reduced": "Y3Al2(Ni2H3)3",
"formula_anonymous": "A2B3C6D9",
"energy": -202.87500845,
"energy_per_atom": -5.07187521125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -199.65300845,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009315,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:43.824000Z",
"spacegroup": 229
},
{
"id": "mp-630372",
"created_at": "2022-09-04T14:46:36.623571Z",
"structure_string": "Tb4 Ga6 Fe1 Ge6\n1.0\n-4.301689 4.301689 4.301689\n4.301689 -4.301689 4.301689\n4.301689 4.301689 -4.301689\nTb Ga Fe Ge\n4 6 1 6\ndirect\n0.000000 0.000000 0.500000 Tb\n0.500000 0.500000 0.500000 Tb\n0.000000 0.500000 0.000000 Tb\n0.500000 0.000000 0.000000 Tb\n0.750000 0.500000 0.250000 Ga\n0.500000 0.750000 0.250000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.250000 0.500000 0.750000 Ga\n0.500000 0.250000 0.750000 Ga\n0.000000 0.000000 0.000000 Fe\n0.287888 0.287888 0.000000 Ge\n0.000000 0.287888 0.287888 Ge\n0.000000 0.712112 0.712112 Ge\n0.712112 0.712112 0.000000 Ge\n0.287888 0.000000 0.287888 Ge\n0.712112 0.000000 0.712112 Ge\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Tb",
"Ga",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ga-Ge-Tb",
"density": 8.061282519486458,
"density_atomic": 0.053391473081441564,
"volume": 318.4029025396765,
"volume_molar": 11.279218220508785,
"formula_full": "Tb4 Ga6 Fe1 Ge6",
"formula_reduced": "Tb4Ga6FeGe6",
"formula_anonymous": "AB4C6D6",
"energy": -81.23295868,
"energy_per_atom": -4.778409334117647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.23295868,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0109419,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:42.671000Z",
"spacegroup": 229
},
{
"id": "mp-1106297",
"created_at": "2022-09-04T14:46:35.998017Z",
"structure_string": "Ho4 Ga12 Fe1\n1.0\n-4.279804 4.279804 4.279804\n4.279804 -4.279804 4.279804\n4.279804 4.279804 -4.279804\nHo Ga Fe\n4 12 1\ndirect\n0.000000 0.000000 0.500000 Ho\n0.000000 0.500000 0.000000 Ho\n0.500000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Ho\n0.750000 0.250000 0.500000 Ga\n0.750000 0.500000 0.250000 Ga\n0.500000 0.250000 0.750000 Ga\n0.250000 0.500000 0.750000 Ga\n0.250000 0.750000 0.500000 Ga\n0.500000 0.750000 0.250000 Ga\n0.716402 0.716402 0.000000 Ga\n0.283598 0.000000 0.283598 Ga\n0.000000 0.283598 0.283598 Ga\n0.283598 0.283598 0.000000 Ga\n0.716402 0.000000 0.716402 Ga\n0.000000 0.716402 0.716402 Ga\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ho",
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga-Ho",
"density": 8.22009759441229,
"density_atomic": 0.054214728737908044,
"volume": 313.5679250962157,
"volume_molar": 11.107942251473807,
"formula_full": "Ho4 Ga12 Fe1",
"formula_reduced": "Ho4Ga12Fe",
"formula_anonymous": "AB4C12",
"energy": -72.00243689,
"energy_per_atom": -4.235437464117647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.00243689,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001871,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:42.563000Z",
"spacegroup": 229
},
{
"id": "mp-28246",
"created_at": "2022-09-04T14:46:34.571604Z",
"structure_string": "Ag1 Te3\n1.0\n-3.073473 3.073473 3.073473\n3.073473 -3.073473 3.073473\n3.073473 3.073473 -3.073473\nAg Te\n1 3\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Te\n0.500000 0.000000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"Te"
],
"chemical_system": "Ag-Te",
"density": 7.015987584034746,
"density_atomic": 0.034443858245609325,
"volume": 116.1310086540579,
"volume_molar": 17.48393201788787,
"formula_full": "Ag1 Te3",
"formula_reduced": "AgTe3",
"formula_anonymous": "AB3",
"energy": -13.5257021,
"energy_per_atom": -3.381425525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.2597021,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044964,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.039000Z",
"spacegroup": 229
},
{
"id": "mp-1214851",
"created_at": "2022-09-04T14:46:25.795686Z",
"structure_string": "Al6 Co6 Si8\n1.0\n-4.051910 4.051910 4.051910\n4.051910 -4.051910 4.051910\n4.051910 4.051910 -4.051910\nAl Co Si\n6 6 8\ndirect\n0.500000 0.750000 0.250000 Al\n0.500000 0.250000 0.750000 Al\n0.250000 0.500000 0.750000 Al\n0.750000 0.500000 0.250000 Al\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.000000 0.334873 0.334873 Co\n0.000000 0.665127 0.665127 Co\n0.334873 0.000000 0.334873 Co\n0.665127 0.000000 0.665127 Co\n0.334873 0.334873 0.000000 Co\n0.665127 0.665127 0.000000 Co\n0.324351 0.324351 0.324351 Si\n0.675649 0.675649 0.675649 Si\n0.000000 0.000000 0.675649 Si\n0.000000 0.675649 0.000000 Si\n0.000000 0.000000 0.324351 Si\n0.000000 0.324351 0.000000 Si\n0.675649 0.000000 0.000000 Si\n0.324351 0.000000 0.000000 Si\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Al",
"Co",
"Si"
],
"chemical_system": "Al-Co-Si",
"density": 4.618943212239085,
"density_atomic": 0.07516066834168467,
"volume": 266.09662262553155,
"volume_molar": 8.012356586057757,
"formula_full": "Al6 Co6 Si8",
"formula_reduced": "Al3Co3Si4",
"formula_anonymous": "A3B3C4",
"energy": -117.08252917,
"energy_per_atom": -5.8541264585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.65052917,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012985,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.614000Z",
"spacegroup": 229
},
{
"id": "mp-1188789",
"created_at": "2022-09-04T14:46:22.492371Z",
"structure_string": "Tb4 Ga12 Fe1\n1.0\n-4.307710 4.307710 4.307710\n4.307710 -4.307710 4.307710\n4.307710 4.307710 -4.307710\nTb Ga Fe\n4 12 1\ndirect\n0.000000 0.000000 0.500000 Tb\n0.000000 0.500000 0.000000 Tb\n0.500000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Tb\n0.750000 0.250000 0.500000 Ga\n0.750000 0.500000 0.250000 Ga\n0.500000 0.250000 0.750000 Ga\n0.250000 0.500000 0.750000 Ga\n0.250000 0.750000 0.500000 Ga\n0.500000 0.750000 0.250000 Ga\n0.716810 0.716810 0.000000 Ga\n0.283190 0.000000 0.283190 Ga\n0.000000 0.283190 0.283190 Ga\n0.283190 0.283190 0.000000 Ga\n0.716810 0.000000 0.716810 Ga\n0.000000 0.716810 0.716810 Ga\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga-Tb",
"density": 7.936632882463986,
"density_atomic": 0.05316790584392141,
"volume": 319.7417639488161,
"volume_molar": 11.326646525590965,
"formula_full": "Tb4 Ga12 Fe1",
"formula_reduced": "Tb4Ga12Fe",
"formula_anonymous": "AB4C12",
"energy": -72.42777665,
"energy_per_atom": -4.26045745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.42777665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0282943,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.809000Z",
"spacegroup": 229
},
{
"id": "mp-2729",
"created_at": "2022-09-04T14:46:18.955340Z",
"structure_string": "Sn14 Os6\n1.0\n-4.753512 4.753512 4.753512\n4.753512 -4.753512 4.753512\n4.753512 4.753512 -4.753512\nSn Os\n14 6\ndirect\n0.250000 0.750000 0.500000 Sn\n0.750000 0.500000 0.250000 Sn\n0.250000 0.500000 0.750000 Sn\n0.500000 0.750000 0.250000 Sn\n0.500000 0.250000 0.750000 Sn\n0.750000 0.250000 0.500000 Sn\n0.321960 0.321960 0.321960 Sn\n0.000000 0.000000 0.321960 Sn\n0.321960 0.000000 0.000000 Sn\n0.000000 0.321960 0.000000 Sn\n0.678040 0.000000 0.000000 Sn\n0.000000 0.678040 0.000000 Sn\n0.000000 0.000000 0.678040 Sn\n0.678040 0.678040 0.678040 Sn\n0.655901 0.655901 0.000000 Os\n0.344099 0.000000 0.344099 Os\n0.655901 0.000000 0.655901 Os\n0.000000 0.655901 0.655901 Os\n0.000000 0.344099 0.344099 Os\n0.344099 0.344099 0.000000 Os\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sn",
"Os"
],
"chemical_system": "Os-Sn",
"density": 10.8347276190688,
"density_atomic": 0.04655070048431173,
"volume": 429.639077219478,
"volume_molar": 12.93673499506103,
"formula_full": "Sn14 Os6",
"formula_reduced": "Sn7Os3",
"formula_anonymous": "A3B7",
"energy": -123.10008613,
"energy_per_atom": -6.1550043064999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.10008613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003388,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:26.527000Z",
"spacegroup": 229
},
{
"id": "mp-1218513",
"created_at": "2022-09-04T14:46:18.967220Z",
"structure_string": "Sr4 Fe3 Mo1 O12\n1.0\n-3.969645 3.969645 3.969645\n3.969645 -3.969645 3.969645\n3.969645 3.969645 -3.969645\nSr Fe Mo O\n4 3 1 12\ndirect\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Mo\n0.242540 0.242540 0.000000 O\n0.757460 0.757460 0.000000 O\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n0.500000 0.250000 0.750000 O\n0.000000 0.757460 0.757460 O\n0.000000 0.242540 0.242540 O\n0.500000 0.750000 0.250000 O\n0.250000 0.500000 0.750000 O\n0.757460 0.000000 0.757460 O\n0.750000 0.500000 0.250000 O\n0.242540 0.000000 0.242540 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Fe",
"Mo",
"O"
],
"chemical_system": "Fe-Mo-O-Sr",
"density": 5.34861095946046,
"density_atomic": 0.07993095354185635,
"volume": 250.215956569652,
"volume_molar": 7.534178554302455,
"formula_full": "Sr4 Fe3 Mo1 O12",
"formula_reduced": "Sr4Fe3MoO12",
"formula_anonymous": "AB3C4D12",
"energy": -150.85361318,
"energy_per_atom": -7.542680659,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.63961318,
"band_gap": 0.0389000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0074246,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.665000Z",
"spacegroup": 229
},
{
"id": "mp-1214461",
"created_at": "2022-09-04T14:46:18.462827Z",
"structure_string": "Ba4 Li1 Bi3 O12\n1.0\n-4.318812 4.318812 4.318812\n4.318812 -4.318812 4.318812\n4.318812 4.318812 -4.318812\nBa Li Bi O\n4 1 3 12\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.261145 0.261145 O\n0.000000 0.738855 0.738855 O\n0.261145 0.000000 0.261145 O\n0.738855 0.000000 0.738855 O\n0.261145 0.261145 0.000000 O\n0.738855 0.738855 0.000000 O\n0.500000 0.750000 0.250000 O\n0.500000 0.250000 0.750000 O\n0.250000 0.500000 0.750000 O\n0.750000 0.500000 0.250000 O\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Li",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Li-O",
"density": 7.086906498027414,
"density_atomic": 0.062069336951996165,
"volume": 322.2202939829663,
"volume_molar": 9.70227983047002,
"formula_full": "Ba4 Li1 Bi3 O12",
"formula_reduced": "Ba4Li(BiO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -124.55296833,
"energy_per_atom": -6.2276484165,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -116.30896833,
"band_gap": 0.5661,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010724,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.605000Z",
"spacegroup": 229
},
{
"id": "mp-1201730",
"created_at": "2022-09-04T14:46:09.915817Z",
"structure_string": "Er6 Al4 Ni12 H14\n1.0\n-4.559156 4.559156 4.559156\n4.559156 -4.559156 4.559156\n4.559156 4.559156 -4.559156\nEr Al Ni H\n6 4 12 14\ndirect\n0.719115 0.719115 0.000000 Er\n0.280885 0.000000 0.280885 Er\n0.000000 0.280885 0.280885 Er\n0.280885 0.280885 0.000000 Er\n0.719115 0.000000 0.719115 Er\n0.000000 0.719115 0.719115 Er\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.331983 0.331983 0.663967 Ni\n0.668017 0.000000 0.331983 Ni\n0.000000 0.668017 0.331983 Ni\n0.668017 0.331983 0.000000 Ni\n0.331983 0.663967 0.331983 Ni\n0.000000 0.331983 0.668017 Ni\n0.331983 0.668017 0.000000 Ni\n0.331983 0.000000 0.668017 Ni\n0.663967 0.331983 0.331983 Ni\n0.668017 0.668017 0.336033 Ni\n0.668017 0.336033 0.668017 Ni\n0.336033 0.668017 0.668017 Ni\n0.000000 0.000000 0.753501 H\n0.000000 0.753501 0.000000 H\n0.753501 0.000000 0.000000 H\n0.246499 0.246499 0.246499 H\n0.000000 0.000000 0.246499 H\n0.000000 0.246499 0.000000 H\n0.246499 0.000000 0.000000 H\n0.753501 0.753501 0.753501 H\n0.500000 0.750000 0.250000 H\n0.250000 0.750000 0.500000 H\n0.250000 0.500000 0.750000 H\n0.500000 0.250000 0.750000 H\n0.750000 0.500000 0.250000 H\n0.750000 0.250000 0.500000 H\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Er",
"Al",
"Ni",
"H"
],
"chemical_system": "Al-Er-H-Ni",
"density": 8.01615268093305,
"density_atomic": 0.09497059337774179,
"volume": 379.064705395821,
"volume_molar": 6.341058369559906,
"formula_full": "Er6 Al4 Ni12 H14",
"formula_reduced": "Er3Al2Ni6H7",
"formula_anonymous": "A2B3C6D7",
"energy": -178.31175979,
"energy_per_atom": -4.953104438611111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.80575979,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1970039,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:22.302000Z",
"spacegroup": 229
},
{
"id": "mp-1218429",
"created_at": "2022-09-04T14:46:08.794937Z",
"structure_string": "Sr8 Fe6 Re2 O24\n1.0\n-0.000012 -0.000003 7.971152\n-7.971148 0.000008 0.000012\n0.000008 -7.971145 0.000003\nSr Fe Re O\n8 6 2 24\ndirect\n0.750001 0.249999 0.749998 Sr\n0.249999 0.750000 0.250001 Sr\n0.249999 0.749997 0.749999 Sr\n0.750001 0.250000 0.250001 Sr\n0.250000 0.250001 0.249998 Sr\n0.750001 0.750000 0.749999 Sr\n0.249998 0.250002 0.750000 Sr\n0.750003 0.749998 0.250001 Sr\n0.000001 0.500000 0.500001 Fe\n0.499999 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000001 0.500001 0.999999 Fe\n0.000001 0.000004 0.000003 Re\n0.499997 0.499995 0.500001 Re\n0.750001 0.500000 0.999998 O\n0.249999 0.000001 0.500000 O\n0.750001 0.999999 0.500000 O\n0.249999 0.500000 0.000001 O\n0.500000 0.999999 0.750002 O\n0.000001 0.500000 0.249998 O\n0.000000 0.500001 0.750002 O\n0.500000 0.000001 0.249998 O\n0.500000 0.249997 0.999999 O\n0.000001 0.750004 0.500000 O\n0.000001 0.249996 0.500000 O\n0.500000 0.750003 0.999999 O\n0.237020 0.000000 0.000001 O\n0.737018 0.499999 0.500000 O\n0.762980 0.000000 0.000000 O\n0.262982 0.500000 0.500000 O\n0.499999 0.499999 0.737021 O\n0.000001 0.000001 0.237021 O\n0.499999 0.500000 0.262979 O\n0.999999 0.999999 0.762978 O\n0.500000 0.262983 0.500000 O\n0.000000 0.762979 0.999999 O\n0.499999 0.737018 0.500000 O\n0.000000 0.237023 0.000000 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Sr",
"Fe",
"Re",
"O"
],
"chemical_system": "Fe-O-Re-Sr",
"density": 5.8766324915059265,
"density_atomic": 0.07897639733436268,
"volume": 506.4804340295727,
"volume_molar": 7.625241164779952,
"formula_full": "Sr8 Fe6 Re2 O24",
"formula_reduced": "Sr4Fe3ReO12",
"formula_anonymous": "AB3C4D12",
"energy": -307.05501879,
"energy_per_atom": -7.676375469750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -277.03101879,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.731000Z",
"spacegroup": 229
},
{
"id": "mp-1181515",
"created_at": "2022-09-04T14:46:11.723781Z",
"structure_string": "Dy4 Ge6 Rh7\n1.0\n-4.209278 4.209278 4.209278\n4.209278 -4.209278 4.209278\n4.209278 4.209278 -4.209278\nDy Ge Rh\n4 6 7\ndirect\n0.000000 0.000000 0.500000 Dy\n0.000000 0.500000 0.000000 Dy\n0.500000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Dy\n0.679815 0.679815 0.000000 Ge\n0.320185 0.000000 0.320185 Ge\n0.000000 0.320185 0.320185 Ge\n0.320185 0.320185 0.000000 Ge\n0.679815 0.000000 0.679815 Ge\n0.000000 0.679815 0.679815 Ge\n0.750000 0.250000 0.500000 Rh\n0.750000 0.500000 0.250000 Rh\n0.500000 0.250000 0.750000 Rh\n0.250000 0.500000 0.750000 Rh\n0.250000 0.750000 0.500000 Rh\n0.500000 0.750000 0.250000 Rh\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Dy",
"Ge",
"Rh"
],
"chemical_system": "Dy-Ge-Rh",
"density": 10.053723708109318,
"density_atomic": 0.05698572809975373,
"volume": 298.3203087313623,
"volume_molar": 10.567805239687772,
"formula_full": "Dy4 Ge6 Rh7",
"formula_reduced": "Dy4Ge6Rh7",
"formula_anonymous": "A4B6C7",
"energy": -113.73080854,
"energy_per_atom": -6.6900475611764705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.73080854,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.010499,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.182000Z",
"spacegroup": 229
}
]
}