CsRh2S3
Alexandria ALEXAlex-ID: agm005689629 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_58_spg63
Rh3S4 Cs2Rh3S4 CsS
2023-08-25 04:27:08.591271
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689629).
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 agm005689629
data_agm005689629
_cell_length_a 5.58078
_cell_length_b 7.54179
_cell_length_c 7.91512
_cell_angle_alpha 118.45171
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 292.90286
_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 0.75000 0.26193 0.52385 1.00000
Cs2 Cs 0.25000 0.73807 0.47615 1.00000
Rh1 Rh 0.50000 0.18666 1.00000 1.00000
Rh2 Rh 0.50000 0.81334 0.00000 1.00000
Rh3 Rh 0.00000 0.81334 0.00000 1.00000
Rh4 Rh 0.00000 0.18666 1.00000 1.00000
S1 S 0.25000 0.53856 0.80374 1.00000
S2 S 0.75000 0.46144 0.19626 1.00000
S3 S 0.75000 0.73482 0.19626 1.00000
S4 S 0.25000 0.26518 0.80374 1.00000
S5 S 0.25000 0.08849 0.17697 1.00000
S6 S 0.75000 0.91151 0.82303 1.00000
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