Rb5Y2S4Br9
Alexandria ALEXAlex-ID: agm010912484 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5D9_0_spg71
RbS7 Y2S3 Rb3YBr6 RbBr
2024-03-08 07:08:49.587863
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010912484).
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 agm010912484
data_agm010912484
_cell_length_a 11.51784
_cell_length_b 11.51784
_cell_length_c 11.51784
_cell_angle_alpha 141.46736
_cell_angle_beta 124.52181
_cell_angle_gamma 69.57547
_cell_volume 770.88514
_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 0.89017 0.67108 0.21909 1.00000
Rb2 Rb 0.10983 0.32892 0.78091 1.00000
Rb3 Rb 0.54801 0.32892 0.21909 1.00000
Rb4 Rb 0.45199 0.67108 0.78091 1.00000
Rb5 Rb 0.50000 0.00000 0.50000 1.00000
Y1 Y 0.87899 0.87899 0.00000 1.00000
Y2 Y 0.12101 0.12101 0.00000 1.00000
S1 S 0.90697 0.18629 0.09326 1.00000
S2 S 0.09303 0.18629 0.27932 1.00000
S3 S 0.90697 0.81371 0.72068 1.00000
S4 S 0.09303 0.81371 0.90674 1.00000
Br1 Br 0.50000 0.50000 0.00000 1.00000
Br2 Br 0.78078 0.51714 0.73637 1.00000
Br3 Br 0.21922 0.95559 0.73637 1.00000
Br4 Br 0.21922 0.48286 0.26363 1.00000
Br5 Br 0.78078 0.04441 0.26363 1.00000
Br6 Br 0.12779 0.85742 0.27037 1.00000
Br7 Br 0.87221 0.14258 0.72963 1.00000
Br8 Br 0.41296 0.14258 0.27037 1.00000
Br9 Br 0.58704 0.85742 0.72963 1.00000
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