Cu4NiAu
Alexandria ALEXAlex-ID: agm069677759 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_514_spg6
Cu2Au5 Cu Ni
2025-04-16 20:03:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069677759).
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 agm069677759
data_agm069677759
_cell_length_a 5.81296
_cell_length_b 5.81296
_cell_length_c 3.73915
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 142.59264
_cell_volume 76.75328
_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
Cu1 Cu 0.67105 0.32895 0.00000 1.00000
Cu2 Cu 0.32895 0.67105 0.00000 1.00000
Cu3 Cu 0.17076 0.82924 0.50000 1.00000
Cu4 Cu 0.82924 0.17076 0.50000 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.50000 0.50000 0.50000 1.00000
获取直接链接