CsNa2Cl6
Alexandria ALEXAlex-ID: agm097841729 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1756_spg38
CsCl5 CsCl3 NaCl
2025-04-07 02:18:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097841729).
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 agm097841729
data_agm097841729
_cell_length_a 5.32870
_cell_length_b 6.10532
_cell_length_c 10.69260
_cell_angle_alpha 89.50035
_cell_angle_beta 75.57410
_cell_angle_gamma 90.04180
_cell_volume 336.88460
_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 0.63721 0.57176 0.30999 1.00000
Na1 Na 0.30870 0.18335 0.96474 1.00000
Na2 Na 0.94558 0.01986 0.69361 1.00000
Cl1 Cl 0.82971 0.37174 0.92422 1.00000
Cl2 Cl 0.03591 0.67281 0.51325 1.00000
Cl3 Cl 0.94317 0.07287 0.19593 1.00000
Cl4 Cl 0.93247 0.51684 0.71931 1.00000
Cl5 Cl 0.44168 0.07261 0.19611 1.00000
Cl6 Cl 0.42558 0.01815 0.73283 1.00000
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