CsV2CuCl8
Alexandria ALEXAlex-ID: agm004882791 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_451_spg2
Cs3V2Cl9 Cu3Cl4 VCl3 Cu
2022-12-21 01:14:20.096896
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004882791).
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 agm004882791
data_agm004882791
_cell_length_a 8.28688
_cell_length_b 6.53724
_cell_length_c 7.39479
_cell_angle_alpha 106.42566
_cell_angle_beta 73.52623
_cell_angle_gamma 74.68633
_cell_volume 341.69126
_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 0.50000 1.00000
V1 V 0.49920 0.53114 0.75773 1.00000
V2 V 0.50080 0.46886 0.24227 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.22794 0.43144 0.32230 1.00000
Cl2 Cl 0.44379 0.76657 0.11485 1.00000
Cl3 Cl 0.83904 0.35363 0.09915 1.00000
Cl4 Cl 0.77206 0.56856 0.67770 1.00000
Cl5 Cl 0.55621 0.23343 0.88515 1.00000
Cl6 Cl 0.16096 0.64637 0.90085 1.00000
Cl7 Cl 0.43421 0.76796 0.55861 1.00000
Cl8 Cl 0.56579 0.23204 0.44139 1.00000
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