UNF5
Alexandria ALEXAlex-ID: agm005221880 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_1421_spg14
UF5 N2
2023-05-12 06:21:51.217670
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005221880).
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 agm005221880
data_agm005221880
_cell_length_a 7.04099
_cell_length_b 8.81100
_cell_length_c 10.83072
_cell_angle_alpha 53.63816
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 541.08800
_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 0.37430 0.38777 0.28471 1.00000
U2 U 0.87430 0.61223 0.21529 1.00000
U3 U 0.62570 0.61223 0.71529 1.00000
U4 U 0.12570 0.38777 0.78471 1.00000
N1 N 0.55152 0.98660 0.84679 1.00000
N2 N 0.05152 0.01340 0.65321 1.00000
N3 N 0.44848 0.01340 0.15321 1.00000
N4 N 0.94848 0.98660 0.34679 1.00000
F1 F 0.33478 0.49615 0.06274 1.00000
F2 F 0.83478 0.50385 0.43726 1.00000
F3 F 0.66522 0.50385 0.93726 1.00000
F4 F 0.16522 0.49615 0.56274 1.00000
F5 F 0.36696 0.11844 0.35303 1.00000
F6 F 0.86696 0.88156 0.14697 1.00000
F7 F 0.63304 0.88156 0.64697 1.00000
F8 F 0.13304 0.11844 0.85303 1.00000
F9 F 0.58834 0.70190 0.49770 1.00000
F10 F 0.08834 0.29810 0.00230 1.00000
F11 F 0.41166 0.29810 0.50230 1.00000
F12 F 0.91166 0.70190 0.99770 1.00000
F13 F 0.55785 0.65634 0.19586 1.00000
F14 F 0.05785 0.34366 0.30414 1.00000
F15 F 0.44215 0.34366 0.80414 1.00000
F16 F 0.94215 0.65634 0.69586 1.00000
F17 F 0.31498 0.64559 0.72983 1.00000
F18 F 0.81498 0.35441 0.77017 1.00000
F19 F 0.68502 0.35441 0.27017 1.00000
F20 F 0.18502 0.64559 0.22983 1.00000
