Rb3(RhS2)4
Alexandria ALEXAlex-ID: agm046068656 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C8_170_spg166
Rb2(RhS2)3 RbRhS2
2024-11-01 09:31:57.590303
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm046068656).
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 agm046068656
data_agm046068656
_cell_length_a 7.34980
_cell_length_b 7.34980
_cell_length_c 8.39821
_cell_angle_alpha 64.00941
_cell_angle_beta 64.00941
_cell_angle_gamma 59.97853
_cell_volume 338.81473
_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 0.00000 0.00000 0.00000 1.00000
Rb2 Rb 0.00000 0.50000 0.00000 1.00000
Rb3 Rb 0.50000 0.00000 0.00000 1.00000
Rh1 Rh 0.00000 0.00000 0.50000 1.00000
Rh2 Rh 0.50000 0.50000 0.50000 1.00000
Rh3 Rh 0.50000 0.00000 0.50000 1.00000
Rh4 Rh 0.00000 0.50000 0.50000 1.00000
S1 S 0.71930 0.71930 0.34220 1.00000
S2 S 0.28070 0.28070 0.65780 1.00000
S3 S 0.22050 0.22050 0.34114 1.00000
S4 S 0.77950 0.77950 0.65886 1.00000
S5 S 0.22043 0.71802 0.34121 1.00000
S6 S 0.77957 0.28198 0.65879 1.00000
S7 S 0.71802 0.22043 0.34121 1.00000
S8 S 0.28198 0.77957 0.65879 1.00000
Get direct link