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"created_at": "2022-09-04T14:41:36.403378Z",
"structure_string": "Sr2 La2 Mn2 Mo2 O12\n1.0\n5.695525 -0.000015 0.030615\n-0.000015 5.837986 0.000002\n0.033269 0.000003 8.162340\nSr La Mn Mo O\n2 2 2 2 12\ndirect\n0.993403 0.039290 0.247041 Sr\n0.493419 0.460706 0.747040 Sr\n0.508313 0.550735 0.248702 La\n0.008294 0.949257 0.748702 La\n0.001383 0.496307 0.498337 Mn\n0.501250 0.003712 0.998377 Mn\n0.000197 0.496202 0.999134 Mo\n0.500210 0.003799 0.499133 Mo\n0.101325 0.471243 0.240796 O\n0.601317 0.028753 0.740797 O\n0.223123 0.191095 0.545657 O\n0.723122 0.308896 0.045654 O\n0.189914 0.206632 0.946331 O\n0.689925 0.293370 0.446336 O\n0.291164 0.728197 0.551538 O\n0.791153 0.771802 0.051530 O\n0.269546 0.694935 0.963026 O\n0.769546 0.805065 0.463032 O\n0.421696 0.963879 0.259421 O\n0.921701 0.536124 0.759421 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mn",
"Mo",
"O"
],
"chemical_system": "La-Mn-Mo-O-Sr",
"density": 5.793023509438512,
"density_atomic": 0.07369330223028007,
"volume": 271.3950846917284,
"volume_molar": 8.17189700792855,
"formula_full": "Sr2 La2 Mn2 Mo2 O12",
"formula_reduced": "SrLaMnMoO6",
"formula_anonymous": "ABCDE6",
"energy": -169.06945382,
"energy_per_atom": -8.453472691,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.08545382,
"band_gap": 0.9097,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.416000Z",
"spacegroup": 7
},
{
"id": "mp-1523205",
"created_at": "2022-09-04T14:40:17.436602Z",
"structure_string": "Sr4 Sm4 Eu4 Nb4 O24\n1.0\n8.477800 0.000000 0.000000\n0.000000 8.484493 0.000000\n0.000000 0.000000 8.481740\nSr Sm Eu Nb O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.250150 0.249897 0.249922 Sm\n0.749850 0.750103 0.249922 Sm\n0.749850 0.249897 0.750078 Sm\n0.250150 0.750103 0.750078 Sm\n0.500000 0.000000 0.500000 Eu\n0.500000 0.000000 0.000000 Eu\n0.000000 0.000000 -0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.749445 0.750074 0.750418 Nb\n0.250555 0.249926 0.750418 Nb\n0.250555 0.750074 0.249582 Nb\n0.749445 0.249926 0.249582 Nb\n0.982751 0.203502 0.287037 O\n0.017249 0.796498 0.287037 O\n0.017249 0.203502 0.712963 O\n0.982751 0.796498 0.712963 O\n0.289280 0.983496 0.202117 O\n0.289280 0.016504 0.797883 O\n0.710720 0.016504 0.202117 O\n0.710720 0.983496 0.797883 O\n0.203855 0.286819 0.982986 O\n0.796145 0.286819 0.017014 O\n0.203855 0.713181 0.017014 O\n0.796145 0.713181 0.982986 O\n0.516635 0.296046 0.212591 O\n0.483365 0.703954 0.212591 O\n0.483365 0.296046 0.787409 O\n0.516635 0.703954 0.787409 O\n0.213503 0.517220 0.296346 O\n0.213503 0.482780 0.703654 O\n0.786497 0.482780 0.296346 O\n0.786497 0.517220 0.703654 O\n0.298105 0.210936 0.516921 O\n0.701895 0.210936 0.483079 O\n0.298105 0.789064 0.483079 O\n0.701895 0.789064 0.516921 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Sr",
"Sm",
"Eu",
"Nb",
"O"
],
"chemical_system": "Eu-Nb-O-Sm-Sr",
"density": 6.302004261547377,
"density_atomic": 0.06556408026710177,
"volume": 610.0901566382665,
"volume_molar": 9.185121998915225,
"formula_full": "Sr4 Sm4 Eu4 Nb4 O24",
"formula_reduced": "SrSmEuNbO6",
"formula_anonymous": "ABCDE6",
"energy": -360.70611151,
"energy_per_atom": -9.01765278775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -344.21811151,
"band_gap": 0.2381000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0110469,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.872000Z",
"spacegroup": 16
}
]
}