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"id": "mp-1520399",
"created_at": "2022-09-04T14:48:23.963214Z",
"structure_string": "Ba1 Na1 Dy1 W1 O6\n1.0\n-0.000000 -4.201549 -4.201549\n4.201549 0.000000 -4.201549\n4.201549 -4.201549 -0.000000\nBa Na Dy W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n-0.000000 0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 W\n0.732782 0.267218 0.267218 O\n0.267218 0.732782 0.732782 O\n0.732782 0.267218 0.732782 O\n0.267218 0.732782 0.267218 O\n0.732782 0.732782 0.267218 O\n0.267218 0.267218 0.732782 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Dy",
"W",
"O"
],
"chemical_system": "Ba-Dy-Na-O-W",
"density": 6.7461850239770795,
"density_atomic": 0.06741269753873647,
"volume": 148.34000663233854,
"volume_molar": 8.933244002792764,
"formula_full": "Ba1 Na1 Dy1 W1 O6",
"formula_reduced": "BaNaDyWO6",
"formula_anonymous": "ABCDE6",
"energy": -79.79713326,
"energy_per_atom": -7.979713326,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.23713326,
"band_gap": 2.8635,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:49.123000Z",
"spacegroup": 216
}
]
}