UOF4
Alexandria ALEXAlex-ID: agm005282556 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_4017_spg122
U(OF)2 UF6
2023-05-10 07:03:33.845028
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005282556).
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 agm005282556
data_agm005282556
_cell_length_a 8.82136
_cell_length_b 8.82136
_cell_length_c 8.82136
_cell_angle_alpha 97.39418
_cell_angle_beta 97.39418
_cell_angle_gamma 137.95425
_cell_volume 429.12868
_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 0.12500 0.79663 0.17163 1.00000
U2 U 0.04663 0.87500 0.67163 1.00000
U3 U 0.20337 0.37500 0.32837 1.00000
U4 U 0.62500 0.95337 0.82837 1.00000
O1 O 0.62500 0.10955 0.98455 1.00000
O2 O 0.12500 0.64045 0.01545 1.00000
O3 O 0.89045 0.87500 0.51545 1.00000
O4 O 0.35955 0.37500 0.48455 1.00000
F1 F 0.90752 0.17150 0.39592 1.00000
F2 F 0.48840 0.09248 0.26398 1.00000
F3 F 0.82850 0.22442 0.73602 1.00000
F4 F 0.77558 0.51160 0.60408 1.00000
F5 F 0.96863 0.18051 0.07611 1.00000
F6 F 0.10748 0.03137 0.21188 1.00000
F7 F 0.81949 0.89560 0.78812 1.00000
F8 F 0.10440 0.89252 0.92389 1.00000
F9 F 0.14560 0.56949 0.28812 1.00000
F10 F 0.28137 0.85748 0.71188 1.00000
F11 F 0.14252 0.85440 0.42389 1.00000
F12 F 0.43051 0.71863 0.57611 1.00000
F13 F 0.42150 0.65752 0.89592 1.00000
F14 F 0.47442 0.57850 0.23602 1.00000
F15 F 0.34248 0.23840 0.76398 1.00000
F16 F 0.76160 0.52558 0.10408 1.00000
