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"energy": -74.29336053,
"energy_per_atom": -7.429336053,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.73336053,
"band_gap": 3.106,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.184000Z",
"spacegroup": 216
},
{
"id": "mp-1520891",
"created_at": "2022-09-04T14:43:23.237228Z",
"structure_string": "K1 Ca1 Dy1 W1 O6\n1.0\n0.000000 -4.173009 -4.173009\n4.173009 -0.000000 -4.173009\n4.173009 -4.173009 0.000000\nK Ca Dy W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 W\n0.733418 0.266582 0.266582 O\n0.266582 0.733418 0.733418 O\n0.733418 0.266582 0.733418 O\n0.266582 0.733418 0.266582 O\n0.733418 0.733418 0.266582 O\n0.266582 0.266582 0.733418 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ca",
"Dy",
"W",
"O"
],
"chemical_system": "Ca-Dy-K-O-W",
"density": 5.958487418314241,
"density_atomic": 0.06880532336446975,
"volume": 145.33759178819412,
"volume_molar": 8.75243435467925,
"formula_full": "K1 Ca1 Dy1 W1 O6",
"formula_reduced": "KCaDyWO6",
"formula_anonymous": "ABCDE6",
"energy": -79.18467643,
"energy_per_atom": -7.918467643,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.62467643,
"band_gap": 2.8505000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.384000Z",
"spacegroup": 216
}
]
}