CsSeS4
Alexandria ALEXAlex-ID: agm005752260 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3616_spg15
CsS3 SeS7 Se
2023-07-31 11:38:21.731936
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752260).
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 agm005752260
data_agm005752260
_cell_length_a 3.98658
_cell_length_b 9.87560
_cell_length_c 11.64075
_cell_angle_alpha 64.90093
_cell_angle_beta 84.41158
_cell_angle_gamma 76.72793
_cell_volume 403.93548
_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 0.37663 0.24675 1.00000
Cs2 Cs 0.25000 0.62337 0.75325 1.00000
Se1 Se 0.75000 0.78137 0.43727 1.00000
Se2 Se 0.25000 0.21863 0.56273 1.00000
S1 S 0.41251 0.60111 0.42583 1.00000
S2 S 0.11214 0.70874 0.04036 1.00000
S3 S 0.91251 0.02694 0.57417 1.00000
S4 S 0.61214 0.74910 0.95964 1.00000
S5 S 0.58749 0.39889 0.57417 1.00000
S6 S 0.08749 0.97306 0.42583 1.00000
S7 S 0.88786 0.29126 0.95964 1.00000
S8 S 0.38786 0.25090 0.04036 1.00000
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