KCeF5
Alexandria ALEXAlex-ID: agm082108596 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_2383_spg14
KCeF5
2025-02-23 16:43:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm082108596).
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 agm082108596
data_agm082108596
_cell_length_a 6.61752
_cell_length_b 12.14637
_cell_length_c 6.57027
_cell_angle_alpha 90.00000
_cell_angle_beta 113.12151
_cell_angle_gamma 90.00000
_cell_volume 485.69039
_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
K1 K 0.48920 0.66077 0.98858 1.00000
K2 K 0.51080 0.33923 0.01142 1.00000
K3 K 0.01080 0.16077 0.01142 1.00000
K4 K 0.98920 0.83923 0.98858 1.00000
Ce1 Ce 0.82236 0.49893 0.67829 1.00000
Ce2 Ce 0.17764 0.50107 0.32171 1.00000
Ce3 Ce 0.67764 0.99893 0.32171 1.00000
Ce4 Ce 0.32236 0.00107 0.67829 1.00000
F1 F 0.78157 0.33407 0.77188 1.00000
F2 F 0.21843 0.66593 0.22812 1.00000
F3 F 0.71843 0.83407 0.22812 1.00000
F4 F 0.28157 0.16593 0.77188 1.00000
F5 F 0.33302 0.99668 0.06146 1.00000
F6 F 0.66698 0.00332 0.93854 1.00000
F7 F 0.16698 0.49668 0.93854 1.00000
F8 F 0.83302 0.50332 0.06146 1.00000
F9 F 0.94735 0.00497 0.66941 1.00000
F10 F 0.05265 0.99503 0.33059 1.00000
F11 F 0.55265 0.50497 0.33059 1.00000
F12 F 0.44735 0.49503 0.66941 1.00000
F13 F 0.26614 0.83561 0.75563 1.00000
F14 F 0.73386 0.16439 0.24437 1.00000
F15 F 0.23386 0.33561 0.24437 1.00000
F16 F 0.76614 0.66439 0.75563 1.00000
F17 F 0.01549 0.60322 0.51470 1.00000
F18 F 0.98451 0.39678 0.48530 1.00000
F19 F 0.48451 0.10322 0.48530 1.00000
F20 F 0.51549 0.89678 0.51470 1.00000
