CsAg2BiS3
Alexandria ALEXAlex-ID: agm005252216 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D3_130_spg14
CsBi3S5 CsAg3S2
2023-05-12 07:07:02.964388
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005252216).
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 agm005252216
data_agm005252216
_cell_length_a 8.25666
_cell_length_b 7.04052
_cell_length_c 13.59370
_cell_angle_alpha 80.41246
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 779.18100
_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 0.61823 0.68161 0.17871 1.00000
Cs2 Cs 0.11823 0.81839 0.82129 1.00000
Cs3 Cs 0.38177 0.31839 0.82129 1.00000
Cs4 Cs 0.88177 0.18161 0.17871 1.00000
Ag1 Ag 0.25318 0.97049 0.09047 1.00000
Ag2 Ag 0.75318 0.52951 0.90953 1.00000
Ag3 Ag 0.74682 0.02951 0.90953 1.00000
Ag4 Ag 0.24682 0.47049 0.09047 1.00000
Ag5 Ag 0.14082 0.64752 0.26940 1.00000
Ag6 Ag 0.64082 0.85248 0.73060 1.00000
Ag7 Ag 0.85918 0.35248 0.73060 1.00000
Ag8 Ag 0.35918 0.14752 0.26940 1.00000
Bi1 Bi 0.36969 0.75577 0.50267 1.00000
Bi2 Bi 0.86969 0.74423 0.49733 1.00000
Bi3 Bi 0.63031 0.24423 0.49733 1.00000
Bi4 Bi 0.13031 0.25577 0.50267 1.00000
S1 S 0.05207 0.72394 0.09148 1.00000
S2 S 0.55207 0.77606 0.90852 1.00000
S3 S 0.94793 0.27606 0.90852 1.00000
S4 S 0.44793 0.22394 0.09148 1.00000
S5 S 0.14076 0.95255 0.37962 1.00000
S6 S 0.64076 0.54745 0.62038 1.00000
S7 S 0.85924 0.04745 0.62038 1.00000
S8 S 0.35924 0.45255 0.37962 1.00000
S9 S 0.62341 0.95372 0.38122 1.00000
S10 S 0.12341 0.54628 0.61878 1.00000
S11 S 0.37659 0.04628 0.61878 1.00000
S12 S 0.87659 0.45372 0.38122 1.00000
