UF5
Alexandria ALEXAlex-ID: agm077637152 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_1839_spg87
UF5
2025-01-12 21:29:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077637152).
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 agm077637152
data_agm077637152
_cell_length_a 10.76792
_cell_length_b 10.76792
_cell_length_c 10.76792
_cell_angle_alpha 92.54111
_cell_angle_beta 92.54111
_cell_angle_gamma 155.68949
_cell_volume 502.46925
_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 0.09721 0.29168 0.38889 1.00000
U2 U 0.29168 0.90279 0.19447 1.00000
U3 U 0.90279 0.70832 0.61111 1.00000
U4 U 0.70832 0.09721 0.80553 1.00000
F1 F 0.00275 0.61543 0.61818 1.00000
F2 F 0.61543 0.99725 0.61268 1.00000
F3 F 0.99725 0.38457 0.38182 1.00000
F4 F 0.38457 0.00275 0.38732 1.00000
F5 F 0.99269 0.80971 0.80240 1.00000
F6 F 0.80971 0.00731 0.81702 1.00000
F7 F 0.00731 0.19029 0.19760 1.00000
F8 F 0.19029 0.99269 0.18298 1.00000
F9 F 0.60845 0.19003 0.79848 1.00000
F10 F 0.19003 0.39155 0.58157 1.00000
F11 F 0.39155 0.80997 0.20152 1.00000
F12 F 0.80997 0.60845 0.41843 1.00000
F13 F 0.59682 0.78791 0.38472 1.00000
F14 F 0.78791 0.40318 0.19109 1.00000
F15 F 0.40318 0.21209 0.61528 1.00000
F16 F 0.21209 0.59682 0.80891 1.00000
F17 F 0.19862 0.20037 0.39899 1.00000
F18 F 0.20037 0.80138 0.00175 1.00000
F19 F 0.80138 0.79963 0.60101 1.00000
F20 F 0.79963 0.19862 0.99825 1.00000
