Cs4Rb3I8
Alexandria ALEXAlex-ID: agm005703075 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C8_5_spg12
CsI3 RbI CsI
2023-07-01 10:48:35.976782
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703075).
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 agm005703075
data_agm005703075
_cell_length_a 10.95588
_cell_length_b 10.88194
_cell_length_c 10.88196
_cell_angle_alpha 90.06390
_cell_angle_beta 120.25549
_cell_angle_gamma 120.25539
_cell_volume 909.71786
_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 0.00000 0.00000 1.00000
Cs2 Cs 0.00000 0.50000 0.00000 1.00000
Cs3 Cs 0.00000 0.00000 0.00000 1.00000
Cs4 Cs 0.00000 0.00000 0.50000 1.00000
Rb1 Rb 0.50000 0.50000 0.00000 1.00000
Rb2 Rb 0.50000 0.00000 0.50000 1.00000
Rb3 Rb 0.50000 0.50000 0.50000 1.00000
I1 I 0.49180 0.25104 0.25104 1.00000
I2 I 1.00000 0.75460 0.24540 1.00000
I3 I 0.01162 0.25201 0.25201 1.00000
I4 I 0.50000 0.74585 0.25415 1.00000
I5 I 0.50000 0.25415 0.74585 1.00000
I6 I 0.98838 0.74799 0.74799 1.00000
I7 I 0.00000 0.24540 0.75460 1.00000
I8 I 0.50820 0.74896 0.74896 1.00000
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