Cs2RbHBr4
Alexandria ALEXAlex-ID: agm007123082 · Space group: Fmm2 (#42)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_41_spg42
CsHBr2 CsBr RbBr
2024-04-22 09:43:26.595635
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007123082).
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 agm007123082
data_agm007123082
_cell_length_a 9.31979
_cell_length_b 9.11916
_cell_length_c 7.10918
_cell_angle_alpha 68.82234
_cell_angle_beta 65.83786
_cell_angle_gamma 45.33980
_cell_volume 389.58269
_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 0.69840 0.80160 0.69840 1.00000
Cs2 Cs 0.19840 0.30160 0.19840 1.00000
Rb1 Rb 0.94776 0.05224 0.94776 1.00000
H1 H 0.26102 0.73898 0.26102 1.00000
Br1 Br 0.07183 0.92817 0.42703 1.00000
Br2 Br 0.42703 0.57297 0.07183 1.00000
Br3 Br 0.73098 0.83809 0.16191 1.00000
Br4 Br 0.16191 0.26902 0.73098 1.00000
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