AcUBeO5
Alexandria ALEXAlex-ID: agm005066331 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD5_28_spg15
AcUO4 BeO
2022-07-12 12:41:05.581715
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005066331).
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
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# CIF generated by HEAS from Alexandria entry agm005066331
data_agm005066331
_cell_length_a 5.81990
_cell_length_b 5.81990
_cell_length_c 7.68277
_cell_angle_alpha 101.86346
_cell_angle_beta 101.86346
_cell_angle_gamma 107.56157
_cell_volume 232.59609
_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
Ac1 Ac 0.34959 0.65041 0.25000 1.00000
Ac2 Ac 0.65041 0.34959 0.75000 1.00000
U1 U 0.00000 0.00000 0.50000 1.00000
U2 U 0.00000 0.00000 0.00000 1.00000
Be1 Be 0.68698 0.31302 0.25000 1.00000
Be2 Be 0.31302 0.68698 0.75000 1.00000
O1 O 0.09115 0.90885 0.25000 1.00000
O2 O 0.90885 0.09115 0.75000 1.00000
O3 O 0.89519 0.30839 0.12268 1.00000
O4 O 0.10481 0.69161 0.87732 1.00000
O5 O 0.69161 0.10481 0.37732 1.00000
O6 O 0.30839 0.89519 0.62268 1.00000
O7 O 0.74809 0.60403 0.40215 1.00000
O8 O 0.25191 0.39597 0.59785 1.00000
O9 O 0.39597 0.25191 0.09785 1.00000
O10 O 0.60403 0.74809 0.90215 1.00000
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