CsCl2
Alexandria ALEXAlex-ID: agm003201699 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_552_spg12
CsCl3 CsCl
2021-12-02 23:49:48.399533
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003201699).
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 agm003201699
data_agm003201699
_cell_length_a 10.79335
_cell_length_b 4.91917
_cell_length_c 4.89612
_cell_angle_alpha 89.99316
_cell_angle_beta 76.93399
_cell_angle_gamma 84.06552
_cell_volume 251.79638
_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 0.80516 0.46829 0.84383 1.00000
Cs2 Cs 0.41130 0.03139 0.53918 1.00000
Cl1 Cl 0.46887 0.51490 0.01042 1.00000
Cl2 Cl 0.00680 0.82335 0.24261 1.00000
Cl3 Cl 0.74759 0.98485 0.37245 1.00000
Cl4 Cl 0.20961 0.67657 0.14023 1.00000
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