CsK2Co2Cl7
Alexandria ALEXAlex-ID: agm033752887 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_6_spg155
CsKCoCl4 K2CoCl4 CoCl2
2024-12-24 12:33:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033752887).
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 agm033752887
data_agm033752887
_cell_length_a 6.87644
_cell_length_b 6.87220
_cell_length_c 10.42704
_cell_angle_alpha 91.35084
_cell_angle_beta 111.54007
_cell_angle_gamma 114.10249
_cell_volume 409.54286
_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
Cs1 Cs 0.01509 0.51514 0.50005 1.00000
K1 K 0.40817 0.70912 0.14654 1.00000
K2 K 0.56709 0.26619 0.85602 1.00000
Co1 Co 0.93269 0.90090 0.80527 1.00000
Co2 Co 0.09213 0.12380 0.19417 1.00000
Cl1 Cl 0.03181 0.03516 0.63159 1.00000
Cl2 Cl 0.01270 0.61413 0.83857 1.00000
Cl3 Cl 0.56819 0.80664 0.78171 1.00000
Cl4 Cl 0.40087 0.39460 0.36910 1.00000
Cl5 Cl 0.01639 0.78052 0.21460 1.00000
Cl6 Cl 0.18188 0.18255 0.00044 1.00000
Cl7 Cl 0.77298 0.17127 0.16194 1.00000
Get direct link