CsCu(AsCl4)2
Alexandria ALEXAlex-ID: agm004875809 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_328_spg12
Cu3Cl4 Cs3As2Cl9 Cu AsCl3
2022-12-19 23:34:10.202200
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875809).
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 agm004875809
data_agm004875809
_cell_length_a 7.22310
_cell_length_b 8.14453
_cell_length_c 9.40207
_cell_angle_alpha 54.86147
_cell_angle_beta 67.41069
_cell_angle_gamma 63.67689
_cell_volume 399.09440
_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 0.50000 0.50000 0.50000 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
As1 As 0.29510 0.19927 0.21054 1.00000
As2 As 0.70490 0.80073 0.78946 1.00000
Cl1 Cl 0.87905 0.55151 0.69039 1.00000
Cl2 Cl 0.68347 0.56081 0.07225 1.00000
Cl3 Cl 0.12095 0.44849 0.30961 1.00000
Cl4 Cl 0.31653 0.43919 0.92775 1.00000
Cl5 Cl 0.67443 0.99805 0.20181 1.00000
Cl6 Cl 0.32557 0.00195 0.79819 1.00000
Cl7 Cl 0.12571 0.99805 0.20181 1.00000
Cl8 Cl 0.87429 0.00195 0.79819 1.00000
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