Cd2Hg6Bi
Alexandria ALEXAlex-ID: agm005659765 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_720_spg71
Cd Hg Bi
2023-07-06 16:07:08.616962
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659765).
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 agm005659765
data_agm005659765
_cell_length_a 3.27804
_cell_length_b 8.52211
_cell_length_c 10.82015
_cell_angle_alpha 113.19187
_cell_angle_beta 117.64974
_cell_angle_gamma 89.99988
_cell_volume 239.83469
_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 0.00748 0.66910 0.33819 1.00000
Cd2 Cd 0.99252 0.33091 0.66181 1.00000
Hg1 Hg 0.48910 0.64648 0.65950 1.00000
Hg2 Hg 0.51090 0.35352 0.34050 1.00000
Hg3 Hg 0.51090 0.98698 0.34050 1.00000
Hg4 Hg 0.50000 0.32949 0.00000 1.00000
Hg5 Hg 0.50000 0.67051 0.00000 1.00000
Hg6 Hg 0.48910 0.01302 0.65950 1.00000
Bi1 Bi 0.00000 1.00000 1.00000 1.00000
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