Li2CuAu
Alexandria ALEXAlex-ID: agm005653974 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_1259_spg140
Li5Au3 Li3Au Cu
2023-07-12 04:55:54.094182
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653974).
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 agm005653974
data_agm005653974
_cell_length_a 5.32843
_cell_length_b 5.05311
_cell_length_c 5.49383
_cell_angle_alpha 102.20255
_cell_angle_beta 119.00893
_cell_angle_gamma 64.16002
_cell_volume 116.42983
_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
Li1 Li 0.80721 0.76602 0.62075 1.00000
Li2 Li 0.31353 0.73398 0.62075 1.00000
Li3 Li 0.19279 0.23398 0.37925 1.00000
Li4 Li 0.68647 0.26602 0.37925 1.00000
Cu1 Cu 0.70057 0.25000 0.90113 1.00000
Cu2 Cu 0.29943 0.75000 0.09887 1.00000
Au1 Au 0.18590 0.25000 0.87179 1.00000
Au2 Au 0.81410 0.75000 0.12821 1.00000
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