LiU2F11
Alexandria ALEXAlex-ID: agm005736795 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C11_11_spg72
UF5 LiUF6
2023-07-02 07:23:18.962252
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005736795).
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 agm005736795
data_agm005736795
_cell_length_a 8.95197
_cell_length_b 8.53431
_cell_length_c 8.53433
_cell_angle_alpha 69.39585
_cell_angle_beta 58.36754
_cell_angle_gamma 58.36743
_cell_volume 470.00252
_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
Li1 Li 0.75000 0.75000 0.75000 1.00000
Li2 Li 0.25000 0.25000 0.25000 1.00000
U1 U 0.62903 0.70279 0.29721 1.00000
U2 U 0.37097 0.29721 0.70279 1.00000
U3 U 0.87097 0.20279 0.79721 1.00000
U4 U 0.12903 0.79721 0.20279 1.00000
F1 F 0.57910 0.73484 0.54923 1.00000
F2 F 0.42090 0.26516 0.45077 1.00000
F3 F 0.13683 0.54923 0.73484 1.00000
F4 F 0.92090 0.95077 0.76516 1.00000
F5 F 0.86317 0.45077 0.26516 1.00000
F6 F 0.07910 0.04923 0.23484 1.00000
F7 F 0.36317 0.76516 0.95077 1.00000
F8 F 0.63683 0.23484 0.04923 1.00000
F9 F 0.50000 0.50000 0.50000 1.00000
F10 F 0.00000 0.00000 0.00000 1.00000
F11 F 0.84941 0.78925 0.21075 1.00000
F12 F 0.15059 0.21075 0.78925 1.00000
F13 F 0.65059 0.28925 0.71075 1.00000
F14 F 0.34941 0.71075 0.28925 1.00000
F15 F 0.43370 0.98215 0.28561 1.00000
F16 F 0.56630 0.01785 0.71439 1.00000
F17 F 0.29853 0.28561 0.98215 1.00000
F18 F 0.06629 0.21439 0.51785 1.00000
F19 F 0.70147 0.71439 0.01785 1.00000
F20 F 0.93371 0.78561 0.48215 1.00000
F21 F 0.20146 0.51785 0.21439 1.00000
F22 F 0.79854 0.48215 0.78561 1.00000
