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{
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"id": "mp-1520639",
"created_at": "2022-09-04T14:41:19.714040Z",
"structure_string": "Sr4 Ca4 Dy4 Bi4 O24\n1.0\n8.472871 0.000000 0.000000\n0.000000 8.470428 0.000000\n0.000000 0.000000 8.466440\nSr Ca Dy Bi O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n-0.000000 0.500000 -0.000000 Sr\n0.500000 -0.000000 -0.000000 Ca\n-0.000000 -0.000000 0.500000 Ca\n-0.000000 -0.000000 -0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.249903 0.247670 0.249613 Dy\n0.750097 0.752330 0.249613 Dy\n0.750097 0.247670 0.750387 Dy\n0.249903 0.752330 0.750387 Dy\n0.749856 0.752635 0.750378 Bi\n0.250144 0.247365 0.750378 Bi\n0.250144 0.752635 0.249622 Bi\n0.749856 0.247365 0.249622 Bi\n0.992816 0.192757 0.292949 O\n0.007184 0.807243 0.292949 O\n0.007184 0.192757 0.707051 O\n0.992816 0.807243 0.707051 O\n0.295809 0.993755 0.194854 O\n0.295809 0.006245 0.805146 O\n0.704191 0.006245 0.194854 O\n0.704191 0.993755 0.805146 O\n0.200621 0.284067 0.993462 O\n0.799379 0.284067 0.006538 O\n0.200621 0.715933 0.006538 O\n0.799379 0.715933 0.993462 O\n0.505983 0.296534 0.216664 O\n0.494017 0.703466 0.216664 O\n0.494017 0.296534 0.783336 O\n0.505983 0.703466 0.783336 O\n0.213704 0.506833 0.293076 O\n0.213704 0.493167 0.706924 O\n0.786296 0.493167 0.293076 O\n0.786296 0.506833 0.706924 O\n0.295555 0.213778 0.506143 O\n0.704445 0.213778 0.493857 O\n0.295555 0.786222 0.493857 O\n0.704445 0.786222 0.506143 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Dy",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Dy-O-Sr",
"density": 6.506041646745148,
"density_atomic": 0.06582990173754223,
"volume": 607.626609553153,
"volume_molar": 9.14803243062662,
"formula_full": "Sr4 Ca4 Dy4 Bi4 O24",
"formula_reduced": "SrCaDyBiO6",
"formula_anonymous": "ABCDE6",
"energy": -279.01930659,
"energy_per_atom": -6.9754826647499995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -262.53130659,
"band_gap": 2.0327,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.970000Z",
"spacegroup": 16
}
]
}