UF5
Alexandria ALEXAlex-ID: agm005263184 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_945_spg43
UF5
2023-05-09 19:02:31.472630
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005263184).
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 agm005263184
data_agm005263184
_cell_length_a 8.72306
_cell_length_b 8.72340
_cell_length_c 8.85506
_cell_angle_alpha 98.12328
_cell_angle_beta 98.12177
_cell_angle_gamma 135.50145
_cell_volume 438.16368
_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 0.20388 0.39495 0.33746 1.00000
U2 U 0.11653 0.80762 0.16254 1.00000
U3 U 0.64495 0.95387 0.83744 1.00000
U4 U 0.05758 0.86651 0.66255 1.00000
F1 F 0.82615 0.20902 0.74315 1.00000
F2 F 0.46598 0.08340 0.25700 1.00000
F3 F 0.79457 0.51637 0.57999 1.00000
F4 F 0.93614 0.21455 0.41985 1.00000
F5 F 0.87573 0.88412 0.51067 1.00000
F6 F 0.61476 0.12308 0.98943 1.00000
F7 F 0.13414 0.62571 0.01068 1.00000
F8 F 0.37308 0.36475 0.48943 1.00000
F9 F 0.81672 0.86991 0.78104 1.00000
F10 F 0.95392 0.17301 0.06560 1.00000
F11 F 0.10736 0.88825 0.93436 1.00000
F12 F 0.08865 0.03548 0.21890 1.00000
F13 F 0.42302 0.70393 0.56563 1.00000
F14 F 0.13828 0.85737 0.43435 1.00000
F15 F 0.11991 0.56668 0.28106 1.00000
F16 F 0.28551 0.83865 0.71890 1.00000
F17 F 0.33337 0.21595 0.75698 1.00000
F18 F 0.46455 0.68613 0.91983 1.00000
F19 F 0.76636 0.54457 0.08001 1.00000
F20 F 0.45903 0.57614 0.24316 1.00000
