CsRb2MgCl5
Alexandria ALEXAlex-ID: agm005176723 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_40_spg71
CsMgCl3 RbCl
2023-01-16 04:51:38.730070
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005176723).
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 agm005176723
data_agm005176723
_cell_length_a 5.06706
_cell_length_b 7.63978
_cell_length_c 8.94107
_cell_angle_alpha 115.29189
_cell_angle_beta 106.46077
_cell_angle_gamma 90.00000
_cell_volume 297.17624
_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 0.50000 0.00000 1.00000
Rb1 Rb 0.21010 0.21010 0.42021 1.00000
Rb2 Rb 0.78990 0.78990 0.57979 1.00000
Mg1 Mg 0.50000 0.00000 0.00000 1.00000
Cl1 Cl 0.61965 0.88627 0.23930 1.00000
Cl2 Cl 0.38035 0.11373 0.76070 1.00000
Cl3 Cl 0.38035 0.64697 0.76070 1.00000
Cl4 Cl 0.61965 0.35303 0.23930 1.00000
Cl5 Cl 0.00000 0.00000 0.00000 1.00000
Get direct link