Cs2Se4S5
Alexandria ALEXAlex-ID: agm005665182 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_1086_spg1
CsSe4 CsS3 Se
2023-06-24 08:43:21.604607
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665182).
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 agm005665182
data_agm005665182
_cell_length_a 17.45586
_cell_length_b 5.99754
_cell_length_c 12.80006
_cell_angle_alpha 84.41739
_cell_angle_beta 160.10997
_cell_angle_gamma 99.70940
_cell_volume 441.80740
_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 0.58353 0.63070 0.43718 1.00000
Cs2 Cs 0.41721 0.27308 0.56166 1.00000
Se1 Se 0.22023 0.73104 0.61471 1.00000
Se2 Se 0.71220 0.22118 0.29817 1.00000
Se3 Se 0.03818 0.06548 0.67593 1.00000
Se4 Se 0.87447 0.88023 0.16326 1.00000
S1 S 0.16263 0.76191 0.07859 1.00000
S2 S 0.95541 0.40500 0.09760 1.00000
S3 S 0.43603 0.92571 0.01020 1.00000
S4 S 0.25766 0.04933 0.09893 1.00000
S5 S 0.84245 0.05635 0.96377 1.00000
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