Cd(BiS3)2
Alexandria ALEXAlex-ID: agm097567975 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3898_spg2
CdS18 Bi2S3 CdS
2025-04-07 06:45:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097567975).
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 agm097567975
data_agm097567975
_cell_length_a 4.23653
_cell_length_b 5.62071
_cell_length_c 10.85668
_cell_angle_alpha 85.22329
_cell_angle_beta 84.86759
_cell_angle_gamma 86.34578
_cell_volume 256.17877
_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
Cd1 Cd 0.49528 0.63461 0.23214 1.00000
Bi1 Bi 0.09432 0.80147 0.87275 1.00000
Bi2 Bi 0.99258 0.11806 0.42509 1.00000
S1 S 0.56256 0.59742 0.99852 1.00000
S2 S 0.33036 0.29853 0.63317 1.00000
S3 S 0.96664 0.58853 0.36773 1.00000
S4 S 0.00126 0.39377 0.77514 1.00000
S5 S 0.51141 0.10960 0.26944 1.00000
S6 S 0.54561 0.95800 0.67601 1.00000
Get direct link