Be2Cu4Au3
Alexandria ALEXAlex-ID: agm005651697 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_142_spg12
BeCuAu Be3Au5 Cu
2023-06-26 18:15:37.396203
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651697).
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 agm005651697
data_agm005651697
_cell_length_a 4.09546
_cell_length_b 5.12885
_cell_length_c 6.38848
_cell_angle_alpha 75.67845
_cell_angle_beta 89.91229
_cell_angle_gamma 66.22301
_cell_volume 118.25174
_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
Be1 Be 0.78048 0.43831 0.67693 1.00000
Be2 Be 0.21952 0.56169 0.32307 1.00000
Cu1 Cu 0.32285 0.35454 0.03033 1.00000
Cu2 Cu 0.87450 0.25329 0.34068 1.00000
Cu3 Cu 0.12550 0.74671 0.65932 1.00000
Cu4 Cu 0.67715 0.64546 0.96967 1.00000
Au1 Au 0.58476 0.82904 0.34771 1.00000
Au2 Au 0.00000 0.00000 0.00000 1.00000
Au3 Au 0.41524 0.17096 0.65229 1.00000
获取直接链接