Zn5Co2
Alexandria ALEXAlex-ID: agm005531397 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5_27_spg72
Zn11Co2 Co
2023-05-29 15:57:38.099699
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005531397).
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 agm005531397
data_agm005531397
_cell_length_a 5.21668
_cell_length_b 6.18973
_cell_length_c 7.08756
_cell_angle_alpha 115.89107
_cell_angle_beta 111.59335
_cell_angle_gamma 90.00000
_cell_volume 187.86997
_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 0.09483 0.27117 0.18966 1.00000
Zn2 Zn 0.90517 0.72883 0.81034 1.00000
Zn3 Zn 0.59483 0.91849 0.18966 1.00000
Zn4 Zn 0.40517 0.08151 0.81034 1.00000
Zn5 Zn 0.48087 0.73087 0.46174 1.00000
Zn6 Zn 0.01913 0.26913 0.53826 1.00000
Zn7 Zn 0.51913 0.26913 0.53826 1.00000
Zn8 Zn 0.98087 0.73087 0.46174 1.00000
Zn9 Zn 0.75000 0.50000 0.00000 1.00000
Zn10 Zn 0.25000 0.50000 0.00000 1.00000
Co1 Co 0.38168 0.66201 0.76335 1.00000
Co2 Co 0.61832 0.33799 0.23665 1.00000
Co3 Co 0.88168 0.10134 0.76335 1.00000
Co4 Co 0.11832 0.89866 0.23665 1.00000
获取直接链接