KCoHF6
Alexandria ALEXAlex-ID: agm007668938 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_14_spg149
KCoHF6
2024-03-06 02:04:45.266054
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007668938).
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 agm007668938
data_agm007668938
_cell_length_a 5.12810
_cell_length_b 5.37763
_cell_length_c 5.52140
_cell_angle_alpha 88.61601
_cell_angle_beta 118.33331
_cell_angle_gamma 97.67358
_cell_volume 132.68837
_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 0.09780 0.03803 0.07647 1.00000
Co1 Co 0.30119 0.49971 0.67445 1.00000
H1 H 0.79112 0.48975 0.18055 1.00000
F1 F 0.97673 0.63998 0.34185 1.00000
F2 F 0.46496 0.41213 0.47984 1.00000
F3 F 0.62220 0.34556 0.01746 1.00000
F4 F 0.07230 0.19774 0.58765 1.00000
F5 F 0.14719 0.57611 0.88408 1.00000
F6 F 0.52626 0.80109 0.75746 1.00000
Get direct link