CsSnBi2
Alexandria ALEXAlex-ID: agm005750049 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_1087_spg15
Cs4Sn23 CsBi2 Bi
2023-07-13 13:47:29.218233
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005750049).
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
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# CIF generated by HEAS from Alexandria entry agm005750049
data_agm005750049
_cell_length_a 7.30553
_cell_length_b 7.13102
_cell_length_c 7.91518
_cell_angle_alpha 101.03958
_cell_angle_beta 117.48319
_cell_angle_gamma 65.48486
_cell_volume 332.83588
_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 0.11537 0.25000 0.73074 1.00000
Cs2 Cs 0.88463 0.75000 0.26926 1.00000
Sn1 Sn 0.75288 0.25000 0.00577 1.00000
Sn2 Sn 0.24712 0.75000 0.99423 1.00000
Bi1 Bi 0.72871 0.88506 0.71745 1.00000
Bi2 Bi 0.48874 0.61494 0.71745 1.00000
Bi3 Bi 0.27129 0.11494 0.28255 1.00000
Bi4 Bi 0.51126 0.38506 0.28255 1.00000
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