Cs2Hg3Bi
Alexandria ALEXAlex-ID: agm017291044 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_228_spg8
Cs2Hg3Bi
2025-04-13 15:45:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017291044).
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 agm017291044
data_agm017291044
_cell_length_a 7.55898
_cell_length_b 7.55898
_cell_length_c 9.43927
_cell_angle_alpha 51.36411
_cell_angle_beta 128.63589
_cell_angle_gamma 139.38049
_cell_volume 262.00097
_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 0.74382 0.25618 0.24103 1.00000
Cs2 Cs 0.25726 0.74274 0.75553 1.00000
Hg1 Hg 0.50019 0.49981 0.65864 1.00000
Hg2 Hg 0.00090 0.99910 0.16978 1.00000
Hg3 Hg 0.99995 0.00005 0.83663 1.00000
Bi1 Bi 0.50106 0.49894 0.33838 1.00000
获取直接链接