CdSnHg6
Alexandria ALEXAlex-ID: agm005759522 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_730_spg2
Cd Sn Hg
2023-07-24 19:06:10.964600
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759522).
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 agm005759522
data_agm005759522
_cell_length_a 6.28534
_cell_length_b 6.86561
_cell_length_c 9.07991
_cell_angle_alpha 45.62140
_cell_angle_beta 49.83906
_cell_angle_gamma 56.51559
_cell_volume 210.35898
_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 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.00000 0.50000 0.50000 1.00000
Hg1 Hg 0.25150 0.84889 0.65736 1.00000
Hg2 Hg 0.50304 0.24081 0.74636 1.00000
Hg3 Hg 0.24706 0.36010 0.14784 1.00000
Hg4 Hg 0.49696 0.75919 0.25364 1.00000
Hg5 Hg 0.74850 0.15111 0.34264 1.00000
Hg6 Hg 0.75294 0.63990 0.85216 1.00000
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