UF5
Alexandria ALEXAlex-ID: agm078486641 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_1840_spg14
UF5
2025-01-09 12:06:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078486641).
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 agm078486641
data_agm078486641
_cell_length_a 5.70897
_cell_length_b 9.22992
_cell_length_c 8.89749
_cell_angle_alpha 90.00000
_cell_angle_beta 112.19177
_cell_angle_gamma 90.00000
_cell_volume 434.10940
_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 0.36587 0.80079 0.45250 1.00000
U2 U 0.63413 0.19921 0.54750 1.00000
U3 U 0.63413 0.30079 0.04750 1.00000
U4 U 0.36587 0.69921 0.95250 1.00000
F1 F 0.34444 0.75352 0.70404 1.00000
F2 F 0.65556 0.24648 0.29596 1.00000
F3 F 0.65556 0.25352 0.79596 1.00000
F4 F 0.34444 0.74648 0.20404 1.00000
F5 F 0.51391 0.50255 0.13898 1.00000
F6 F 0.48609 0.49745 0.86102 1.00000
F7 F 0.48609 0.00255 0.36102 1.00000
F8 F 0.51391 0.99745 0.63898 1.00000
F9 F 0.22470 0.59713 0.43320 1.00000
F10 F 0.77530 0.40287 0.56680 1.00000
F11 F 0.77530 0.09713 0.06680 1.00000
F12 F 0.22470 0.90287 0.93320 1.00000
F13 F 0.72601 0.73037 0.53915 1.00000
F14 F 0.27399 0.26963 0.46085 1.00000
F15 F 0.27399 0.23037 0.96085 1.00000
F16 F 0.72601 0.76963 0.03915 1.00000
F17 F 0.01498 0.88524 0.37129 1.00000
F18 F 0.98502 0.11476 0.62871 1.00000
F19 F 0.98502 0.38524 0.12871 1.00000
F20 F 0.01498 0.61476 0.87129 1.00000
