KF5
Alexandria ALEXAlex-ID: agm005290033 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_587_spg141
KF5
2023-04-21 15:08:05.821027
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005290033).
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 agm005290033
data_agm005290033
_cell_length_a 7.43763
_cell_length_b 7.43763
_cell_length_c 7.43763
_cell_angle_alpha 135.70217
_cell_angle_beta 135.70217
_cell_angle_gamma 64.44113
_cell_volume 197.90319
_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 0.50000 0.50000 0.00000 1.00000
K2 K 0.25000 0.75000 0.50000 1.00000
F1 F 0.00000 0.00000 0.00000 1.00000
F2 F 0.75000 0.25000 0.50000 1.00000
F3 F 0.71587 0.86153 0.14566 1.00000
F4 F 0.71586 0.57021 0.85434 1.00000
F5 F 0.32021 0.96587 0.35435 1.00000
F6 F 0.61153 0.96586 0.64565 1.00000
F7 F 0.03413 0.38847 0.35434 1.00000
F8 F 0.03414 0.67979 0.64566 1.00000
F9 F 0.42979 0.28413 0.14565 1.00000
F10 F 0.13847 0.28414 0.85435 1.00000
Get direct link