K5F3
Alexandria ALEXAlex-ID: agm101017773 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_1886_spg1
KF K
2025-04-06 19:39:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101017773).
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 agm101017773
data_agm101017773
_cell_length_a 7.13164
_cell_length_b 7.15914
_cell_length_c 13.31097
_cell_angle_alpha 104.82823
_cell_angle_beta 83.67644
_cell_angle_gamma 117.71351
_cell_volume 581.58091
_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 0.41365 0.49015 0.03803 1.00000
K2 K 0.37445 0.22635 0.49315 1.00000
K3 K 0.65417 0.03917 0.97804 1.00000
K4 K 0.08584 0.59434 0.49169 1.00000
K5 K 0.67799 0.69098 0.28219 1.00000
K6 K 0.75945 0.22928 0.24853 1.00000
K7 K 0.00173 0.73606 0.04630 1.00000
K8 K 0.21606 0.82439 0.76337 1.00000
K9 K 0.21799 0.34222 0.76001 1.00000
K10 K 0.72234 0.82916 0.58704 1.00000
F1 F 0.32568 0.56288 0.61803 1.00000
F2 F 0.69770 0.40364 0.11340 1.00000
F3 F 0.71984 0.51321 0.42116 1.00000
F4 F 0.29550 0.68294 0.91947 1.00000
F5 F 0.71028 0.86931 0.12053 1.00000
F6 F 0.12732 0.96592 0.61905 1.00000
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