CeU5O12
Alexandria ALEXAlex-ID: agm005259580 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C12_19_spg12
CeU4O10 UO2
2022-12-12 11:52:16.463928
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005259580).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005259580
data_agm005259580
_cell_length_a 6.64830
_cell_length_b 6.64830
_cell_length_c 6.65147
_cell_angle_alpha 80.41258
_cell_angle_beta 80.41258
_cell_angle_gamma 120.00201
_cell_volume 240.06004
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ce1 Ce 0.50000 0.50000 0.50000 1.00000
U1 U 0.83327 0.16673 0.50000 1.00000
U2 U 0.16673 0.83327 0.50000 1.00000
U3 U 0.66675 0.33325 0.00000 1.00000
U4 U 0.00000 0.00000 0.00000 1.00000
U5 U 0.33325 0.66675 0.00000 1.00000
O1 O 0.11520 0.11520 0.62991 1.00000
O2 O 0.70763 0.04282 0.87682 1.00000
O3 O 0.95718 0.29237 0.12318 1.00000
O4 O 0.37010 0.37010 0.88437 1.00000
O5 O 0.04282 0.70763 0.87682 1.00000
O6 O 0.54231 0.20222 0.37061 1.00000
O7 O 0.88480 0.88480 0.37009 1.00000
O8 O 0.45769 0.79778 0.62939 1.00000
O9 O 0.62990 0.62990 0.11563 1.00000
O10 O 0.29237 0.95718 0.12318 1.00000
O11 O 0.79778 0.45769 0.62939 1.00000
O12 O 0.20222 0.54231 0.37061 1.00000
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