Rb4SnCl5
Alexandria ALEXAlex-ID: agm003659619 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_149_spg79
Rb6SnCl8 Sn RbCl
2022-04-06 09:22:11.409432
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003659619).
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 agm003659619
data_agm003659619
_cell_length_a 6.95282
_cell_length_b 8.04543
_cell_length_c 8.04543
_cell_angle_alpha 79.23926
_cell_angle_beta 64.39926
_cell_angle_gamma 64.39926
_cell_volume 366.02138
_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
Rb1 Rb 0.40625 0.38811 0.80179 1.00000
Rb2 Rb 0.79436 0.80179 0.61189 1.00000
Rb3 Rb 0.20804 0.19821 0.38811 1.00000
Rb4 Rb 0.59615 0.61189 0.19821 1.00000
Sn1 Sn 0.00078 1.00000 1.00000 1.00000
Cl1 Cl 0.91092 0.37178 0.80854 1.00000
Cl2 Cl 0.28270 0.80854 0.62822 1.00000
Cl3 Cl 0.71946 0.19146 0.37178 1.00000
Cl4 Cl 0.09124 0.62822 0.19146 1.00000
Cl5 Cl 0.50040 0.00000 0.00000 1.00000
Get direct link