U2I5O
Alexandria ALEXAlex-ID: agm005996326 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_869_spg63
UI4 UI3 UO2
2023-09-10 13:02:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005996326).
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 agm005996326
data_agm005996326
_cell_length_a 3.64380
_cell_length_b 8.50927
_cell_length_c 21.19001
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.36317
_cell_volume 641.78252
_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 0.75944 0.51889 0.32200 1.00000
U2 U 0.75944 0.51889 0.17800 1.00000
U3 U 0.24056 0.48111 0.67800 1.00000
U4 U 0.24056 0.48111 0.82200 1.00000
I1 I 0.88020 0.76040 0.87259 1.00000
I2 I 0.88020 0.76040 0.62741 1.00000
I3 I 0.33978 0.67956 0.42320 1.00000
I4 I 0.33978 0.67956 0.07680 1.00000
I5 I 0.41053 0.82105 0.25000 1.00000
I6 I 0.58947 0.17895 0.75000 1.00000
I7 I 0.66022 0.32044 0.57680 1.00000
I8 I 0.66022 0.32044 0.92320 1.00000
I9 I 0.11980 0.23960 0.12741 1.00000
I10 I 0.11980 0.23960 0.37259 1.00000
O1 O 0.76623 0.53246 0.75000 1.00000
O2 O 0.23377 0.46754 0.25000 1.00000
Get direct link