CsRb(AgCl2)2
Alexandria ALEXAlex-ID: agm011702327 · Space group: I422 (#97)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_368_spg23
CsAgCl2 Rb2AgCl3 AgCl
2024-05-03 16:44:04.298322
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011702327).
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 agm011702327
data_agm011702327
_cell_length_a 7.09417
_cell_length_b 7.09417
_cell_length_c 7.09417
_cell_angle_alpha 112.18018
_cell_angle_beta 112.18018
_cell_angle_gamma 104.17942
_cell_volume 273.10561
_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 0.00000 1.00000
Rb1 Rb 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.25000 0.75000 0.50000 1.00000
Ag2 Ag 0.75000 0.25000 0.50000 1.00000
Cl1 Cl 0.03718 0.96282 0.50000 1.00000
Cl2 Cl 0.96282 0.46282 0.92565 1.00000
Cl3 Cl 0.46282 0.53718 0.50000 1.00000
Cl4 Cl 0.53718 0.03718 0.07435 1.00000
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