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"id": "mp-766236",
"created_at": "2022-09-04T14:43:54.070148Z",
"structure_string": "Gd8 Er8 O24\n1.0\n5.356863 7.576326 0.000000\n-5.356863 7.576326 0.000000\n0.000000 7.576073 7.574367\nGd Er O\n8 8 24\ndirect\n0.501167 0.501201 0.749815 Gd\n0.530384 0.031127 0.969650 Gd\n0.968873 0.469616 0.030350 Gd\n0.280887 0.719113 0.500000 Gd\n0.781716 0.218284 0.500000 Gd\n0.997316 0.998306 0.250004 Gd\n0.498799 0.498833 0.250185 Gd\n0.001694 0.002684 0.749996 Gd\n0.248343 0.248916 0.782109 Er\n0.251124 0.251611 0.282372 Er\n0.751084 0.751657 0.217891 Er\n0.217915 0.782085 0.000000 Er\n0.717229 0.282771 0.000000 Er\n0.031510 0.532066 0.467867 Er\n0.467934 0.968490 0.532133 Er\n0.748389 0.748876 0.717628 Er\n0.729163 0.474945 0.290933 O\n0.525055 0.270837 0.709067 O\n0.774293 0.487102 0.719426 O\n0.268772 0.987208 0.019232 O\n0.991581 0.274606 0.519015 O\n0.491501 0.769134 0.220143 O\n0.770559 0.030659 0.994891 O\n0.969341 0.229441 0.005109 O\n0.047023 0.238628 0.238290 O\n0.253975 0.453574 0.524799 O\n0.546426 0.746025 0.475201 O\n0.761372 0.952977 0.761710 O\n0.958315 0.754519 0.262187 O\n0.458207 0.261820 0.023993 O\n0.245481 0.041685 0.737813 O\n0.738180 0.541793 0.976007 O\n0.231926 0.974315 0.506594 O\n0.025685 0.768074 0.493406 O\n0.012792 0.731228 0.980768 O\n0.512898 0.225707 0.280574 O\n0.725394 0.008419 0.480985 O\n0.230866 0.508499 0.779857 O\n0.268092 0.531238 0.207407 O\n0.468762 0.731908 0.792593 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Gd",
"Er",
"O"
],
"chemical_system": "Er-Gd-O",
"density": 8.048746012847838,
"density_atomic": 0.06506005984261362,
"volume": 614.8165264028921,
"volume_molar": 9.256279158931182,
"formula_full": "Gd8 Er8 O24",
"formula_reduced": "GdErO3",
"formula_anonymous": "ABC3",
"energy": -427.04269034999993,
"energy_per_atom": -10.676067258749999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -410.55469035,
"band_gap": 3.0971,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 56.1219352,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.878000Z",
"spacegroup": 5
}
]
}