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"id": "mp-1523242",
"created_at": "2022-09-04T14:43:23.689083Z",
"structure_string": "Na1 Ca1 Dy1 W1 O6\n1.0\n0.000000 -4.148314 -4.148314\n4.148314 -0.000000 -4.148314\n4.148314 -4.148314 -0.000000\nNa Ca Dy W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Ca\n-0.000000 -0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 W\n0.734026 0.265974 0.265974 O\n0.265974 0.734026 0.734026 O\n0.734026 0.265974 0.734026 O\n0.265974 0.734026 0.265974 O\n0.734026 0.734026 0.265974 O\n0.265974 0.265974 0.734026 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Dy",
"W",
"O"
],
"chemical_system": "Ca-Dy-Na-O-W",
"density": 5.878182364804235,
"density_atomic": 0.07004145153069045,
"volume": 142.77259796105517,
"volume_molar": 8.597966815923632,
"formula_full": "Na1 Ca1 Dy1 W1 O6",
"formula_reduced": "NaCaDyWO6",
"formula_anonymous": "ABCDE6",
"energy": -79.01132334,
"energy_per_atom": -7.901132334000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.45132334,
"band_gap": 2.8610999999999995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.800000Z",
"spacegroup": 216
}
]
}