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{
"id": "mp-753088",
"created_at": "2022-09-04T14:42:47.235739Z",
"structure_string": "Ce5 Gd2 O13\n1.0\n0.000000 -2.718241 -2.718241\n-2.718241 0.000000 -2.718241\n13.781923 13.781923 -11.063682\nCe Gd O\n5 2 13\ndirect\n0.428228 0.428228 0.284684 Ce\n0.856525 0.856525 0.569575 Ce\n0.142286 0.142286 0.426858 Ce\n0.570784 0.570784 0.712352 Ce\n0.284760 0.284760 0.854279 Ce\n0.716391 0.716391 0.149172 Gd\n0.998888 0.998888 0.996663 Gd\n0.750701 0.750701 0.252104 O\n0.393459 0.393459 0.180375 O\n0.031021 0.031021 0.093063 O\n0.821700 0.821700 0.465098 O\n0.107577 0.107577 0.322732 O\n0.464563 0.464563 0.393689 O\n0.535972 0.535972 0.607916 O\n0.893071 0.893071 0.679213 O\n0.178802 0.178802 0.536405 O\n0.963649 0.963649 0.890948 O\n0.607079 0.607079 0.821237 O\n0.250255 0.250255 0.750765 O\n0.325720 0.325720 0.977160 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ce",
"Gd",
"O"
],
"chemical_system": "Ce-Gd-O",
"density": 7.115875791880508,
"density_atomic": 0.07007404086887087,
"volume": 285.4123974015696,
"volume_molar": 8.593968159006552,
"formula_full": "Ce5 Gd2 O13",
"formula_reduced": "Ce5Gd2O13",
"formula_anonymous": "A2B5C13",
"energy": -199.85522811000004,
"energy_per_atom": -9.992761405500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.92422811,
"band_gap": 1.2624000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9897926,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.123000Z",
"spacegroup": 160
}
]
}