KCu4F8
Alexandria ALEXAlex-ID: agm098084558 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1609_spg8
Cu7F12 KCuF3 Cu
2025-06-15 09:21:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098084558).
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 agm098084558
data_agm098084558
_cell_length_a 4.17614
_cell_length_b 7.27518
_cell_length_c 7.31836
_cell_angle_alpha 119.45034
_cell_angle_beta 80.01006
_cell_angle_gamma 103.38818
_cell_volume 187.88723
_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 0.50008 0.00009 0.03850 1.00000
Cu1 Cu 0.22992 0.09099 0.69742 1.00000
Cu2 Cu 0.76998 0.90901 0.37941 1.00000
Cu3 Cu 0.00007 0.50002 0.03850 1.00000
Cu4 Cu 0.00002 0.50003 0.53851 1.00000
F1 F 0.91412 0.20149 0.35495 1.00000
F2 F 0.71974 0.07089 0.68928 1.00000
F3 F 0.83157 0.55223 0.32745 1.00000
F4 F 0.78411 0.72406 0.07995 1.00000
F5 F 0.21584 0.27586 0.99690 1.00000
F6 F 0.16853 0.44771 0.74946 1.00000
F7 F 0.28015 0.92901 0.38754 1.00000
F8 F 0.08587 0.79860 0.72213 1.00000
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