Bi(SCl2)2
Alexandria ALEXAlex-ID: agm005996445 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_2899_spg2
S8Cl SCl BiCl3
2023-10-16 05:48:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005996445).
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 agm005996445
data_agm005996445
_cell_length_a 4.09533
_cell_length_b 7.92495
_cell_length_c 11.79225
_cell_angle_alpha 86.26876
_cell_angle_beta 128.45833
_cell_angle_gamma 72.89125
_cell_volume 270.24248
_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
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
S1 S 0.28747 0.48133 0.59235 1.00000
S2 S 0.71253 0.51867 0.40765 1.00000
Cl1 Cl 0.48342 0.62292 0.14382 1.00000
Cl2 Cl 0.51658 0.37708 0.85618 1.00000
Cl3 Cl 0.17971 0.96289 0.80997 1.00000
Cl4 Cl 0.82029 0.03711 0.19003 1.00000
Get direct link