U(BiO2)4
Alexandria ALEXAlex-ID: agm005234436 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_91_spg71
U(BiO3)2 U(BiO2)6 Bi
2024-10-09 17:39:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005234436).
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 agm005234436
data_agm005234436
_cell_length_a 14.45957
_cell_length_b 14.45957
_cell_length_c 14.45957
_cell_angle_alpha 164.79635
_cell_angle_beta 164.30044
_cell_angle_gamma 21.92190
_cell_volume 214.49927
_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
U1 U 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.59621 0.59621 0.00000 1.00000
Bi2 Bi 0.20379 0.20379 0.00000 1.00000
Bi3 Bi 0.79621 0.79621 0.00000 1.00000
Bi4 Bi 0.40379 0.40379 0.00000 1.00000
O1 O 0.14701 0.64701 0.50000 1.00000
O2 O 0.74395 0.24395 0.50000 1.00000
O3 O 0.95552 0.45552 0.50000 1.00000
O4 O 0.45314 0.95314 0.50000 1.00000
O5 O 0.54686 0.04686 0.50000 1.00000
O6 O 0.04448 0.54448 0.50000 1.00000
O7 O 0.25605 0.75605 0.50000 1.00000
O8 O 0.85299 0.35299 0.50000 1.00000
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