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"id": "mp-1520566",
"created_at": "2022-09-04T14:42:21.715223Z",
"structure_string": "K4 Ba4 Bi4 W4 O24\n1.0\n8.606330 0.000000 0.000000\n0.000000 8.588575 0.000000\n0.000000 0.000000 8.599626\nK Ba Bi W O\n4 4 4 4 24\ndirect\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 K\n-0.000000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.000000 Ba\n0.000000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.250000 0.750000 0.250000 Bi\n0.750000 0.250000 0.250000 Bi\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\n0.023323 0.233431 0.265705 O\n0.976677 0.766569 0.265705 O\n0.976677 0.233431 0.734295 O\n0.023323 0.766569 0.734295 O\n0.265113 0.022387 0.226774 O\n0.265113 0.977613 0.773226 O\n0.734887 0.977613 0.226774 O\n0.734887 0.022387 0.773226 O\n0.232470 0.259449 0.023051 O\n0.767530 0.259449 0.976949 O\n0.232470 0.740551 0.976949 O\n0.767530 0.740551 0.023051 O\n0.476677 0.266569 0.234295 O\n0.523323 0.733431 0.234295 O\n0.523323 0.266569 0.765705 O\n0.476677 0.733431 0.765705 O\n0.234887 0.477613 0.273226 O\n0.234887 0.522387 0.726774 O\n0.765113 0.522387 0.273226 O\n0.765113 0.477613 0.726774 O\n0.267530 0.240551 0.476949 O\n0.732470 0.240551 0.523051 O\n0.267530 0.759449 0.523051 O\n0.732470 0.759449 0.476949 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Ba",
"Bi",
"W",
"O"
],
"chemical_system": "Ba-Bi-K-O-W",
"density": 6.95136580943418,
"density_atomic": 0.06292762197872115,
"volume": 635.6509072204559,
"volume_molar": 9.569948093758216,
"formula_full": "K4 Ba4 Bi4 W4 O24",
"formula_reduced": "KBaBiWO6",
"formula_anonymous": "ABCDE6",
"energy": -291.30499671,
"energy_per_atom": -7.282624917750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -257.06499671,
"band_gap": 2.3526,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.228000Z",
"spacegroup": 48
}
]
}