Cs3(CoCl4)2
Alexandria ALEXAlex-ID: agm005602188 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_4_spg166
Cs3(CoCl4)2
2023-06-15 16:04:15.910059
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602188).
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
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# CIF generated by HEAS from Alexandria entry agm005602188
data_agm005602188
_cell_length_a 7.37335
_cell_length_b 7.37335
_cell_length_c 10.47790
_cell_angle_alpha 69.39937
_cell_angle_beta 69.39937
_cell_angle_gamma 59.99998
_cell_volume 450.77542
_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 0.00000 0.00000 0.00000 1.00000
Cs2 Cs 0.20971 0.20971 0.37086 1.00000
Cs3 Cs 0.79029 0.79029 0.62914 1.00000
Co1 Co 0.40929 0.40929 0.77213 1.00000
Co2 Co 0.59071 0.59071 0.22787 1.00000
Cl1 Cl 0.33255 0.33255 0.00234 1.00000
Cl2 Cl 0.66745 0.66745 0.99766 1.00000
Cl3 Cl 0.27201 0.76289 0.69309 1.00000
Cl4 Cl 0.76289 0.27201 0.69309 1.00000
Cl5 Cl 0.27201 0.27201 0.69309 1.00000
Cl6 Cl 0.23711 0.72799 0.30691 1.00000
Cl7 Cl 0.72799 0.23711 0.30691 1.00000
Cl8 Cl 0.72799 0.72799 0.30691 1.00000
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