Cs2GeRhS4
Alexandria ALEXAlex-ID: agm004767337 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_489_spg70
Cs2GeS3 GeRh2 Rh3S4 Cs4GeS4
2023-01-30 17:41:22.889783
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004767337).
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 agm004767337
data_agm004767337
_cell_length_a 6.66121
_cell_length_b 7.15419
_cell_length_c 12.76961
_cell_angle_alpha 83.02564
_cell_angle_beta 74.88111
_cell_angle_gamma 62.25442
_cell_volume 519.93263
_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 0.17931 1.00000 0.64137 1.00000
Cs2 Cs 0.82069 0.00000 0.35863 1.00000
Cs3 Cs 0.57069 0.50000 0.85863 1.00000
Cs4 Cs 0.92931 0.50000 0.14137 1.00000
Ge1 Ge 0.25000 0.50000 0.50000 1.00000
Ge2 Ge 0.50000 0.00000 0.00000 1.00000
Rh1 Rh 0.75000 0.50000 0.50000 1.00000
Rh2 Rh 0.00000 0.00000 0.00000 1.00000
S1 S 0.27527 0.85638 0.10561 1.00000
S2 S 0.23726 0.14362 0.89439 1.00000
S3 S 0.86835 0.85638 0.89439 1.00000
S4 S 0.61912 0.14362 0.10561 1.00000
S5 S 0.47473 0.64362 0.39439 1.00000
S6 S 0.51274 0.35638 0.60561 1.00000
S7 S 0.88165 0.64362 0.60561 1.00000
S8 S 0.13088 0.35638 0.39439 1.00000
Get direct link