CsRb4S8
Alexandria ALEXAlex-ID: agm098017724 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_544_spg2
Rb2S3 Cs2S3 Cs2S5
2025-06-22 15:45:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098017724).
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 agm098017724
data_agm098017724
_cell_length_a 6.69440
_cell_length_b 7.92727
_cell_length_c 11.01449
_cell_angle_alpha 54.90695
_cell_angle_beta 86.92246
_cell_angle_gamma 91.95882
_cell_volume 476.06051
_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 0.63810 0.97204 0.08547 1.00000
Rb1 Rb 0.23109 0.78375 0.83529 1.00000
Rb2 Rb 0.71512 0.36731 0.56015 1.00000
Rb3 Rb 0.79283 0.36939 0.17360 1.00000
Rb4 Rb 0.17269 0.82465 0.45402 1.00000
S1 S 0.68197 0.85694 0.42633 1.00000
S2 S 0.89650 0.46950 0.80822 1.00000
S3 S 0.31226 0.47246 0.27387 1.00000
S4 S 0.73616 0.85497 0.82672 1.00000
S5 S 0.28614 0.33383 0.16425 1.00000
S6 S 0.69806 0.69834 0.72629 1.00000
S7 S 0.13969 0.72345 0.17423 1.00000
S8 S 0.19937 0.27338 0.49155 1.00000
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