Zn2Cd4Ag5
Alexandria ALEXAlex-ID: agm005671930 · 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
A2B4C5_514_spg12
Cd8Ag5 Zn7Ag6 CdAg
2023-06-22 21:59:17.784118
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005671930).
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 agm005671930
data_agm005671930
_cell_length_a 5.36822
_cell_length_b 8.60789
_cell_length_c 4.72263
_cell_angle_alpha 88.52891
_cell_angle_beta 110.65848
_cell_angle_gamma 93.50394
_cell_volume 203.81258
_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
Zn1 Zn 0.29845 0.37461 0.89087 1.00000
Zn2 Zn 0.70155 0.62539 0.10913 1.00000
Cd1 Cd 0.40321 0.18627 0.45295 1.00000
Cd2 Cd 0.16229 0.72609 0.82692 1.00000
Cd3 Cd 0.59679 0.81373 0.54705 1.00000
Cd4 Cd 0.83771 0.27391 0.17308 1.00000
Ag1 Ag 0.77610 0.46482 0.64702 1.00000
Ag2 Ag 0.22390 0.53518 0.35298 1.00000
Ag3 Ag 0.96509 0.09698 0.73288 1.00000
Ag4 Ag 0.50000 0.00000 0.00000 1.00000
Ag5 Ag 0.03491 0.90302 0.26712 1.00000
获取直接链接