Cs4Bi2S5
Alexandria ALEXAlex-ID: agm005657149 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_670_spg8
CsBiS2 Cs3BiS3
2023-06-22 15:50:09.697970
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657149).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005657149
data_agm005657149
_cell_length_a 7.15774
_cell_length_b 7.15774
_cell_length_c 10.03907
_cell_angle_alpha 77.65304
_cell_angle_beta 77.65305
_cell_angle_gamma 71.69394
_cell_volume 471.00827
_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 0.94839 0.94839 0.04845 1.00000
Cs2 Cs 0.05093 0.05093 0.48515 1.00000
Cs3 Cs 0.36495 0.36495 0.11810 1.00000
Cs4 Cs 0.69144 0.69144 0.84029 1.00000
Bi1 Bi 0.33991 0.33991 0.72648 1.00000
Bi2 Bi 0.60567 0.60567 0.34850 1.00000
S1 S 0.22488 0.69399 0.77116 1.00000
S2 S 0.85237 0.39830 0.18055 1.00000
S3 S 0.39830 0.85237 0.18055 1.00000
S4 S 0.69399 0.22488 0.77116 1.00000
S5 S 0.37222 0.37222 0.45836 1.00000
获取直接链接