Cs5RbI6
Alexandria ALEXAlex-ID: agm033733693 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
RbI CsI
2024-12-09 14:26:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033733693).
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 agm033733693
data_agm033733693
_cell_length_a 5.49668
_cell_length_b 11.01182
_cell_length_c 12.29570
_cell_angle_alpha 103.08478
_cell_angle_beta 102.72283
_cell_angle_gamma 89.99155
_cell_volume 706.14809
_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 0.16619 0.33110 0.33210 1.00000
Cs2 Cs 0.83381 0.66890 0.66790 1.00000
Cs3 Cs 0.50000 0.50000 0.00000 1.00000
Cs4 Cs 0.16710 0.83376 0.33413 1.00000
Cs5 Cs 0.83290 0.16624 0.66587 1.00000
Rb1 Rb 0.50000 0.00000 0.00000 1.00000
I1 I 0.66331 0.08012 0.32617 1.00000
I2 I 0.33352 0.41707 0.66713 1.00000
I3 I 0.33669 0.91988 0.67383 1.00000
I4 I 0.00034 0.75945 0.00066 1.00000
I5 I 0.99966 0.24055 0.99934 1.00000
I6 I 0.66648 0.58293 0.33287 1.00000
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