Li4NiAu5
Alexandria ALEXAlex-ID: agm006116537 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_155_spg123
Li3Au5 Ni LiAu
2023-10-11 08:09:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116537).
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 agm006116537
data_agm006116537
_cell_length_a 3.11580
_cell_length_b 3.11567
_cell_length_c 15.60248
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 151.46595
_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 0.00000 0.00000 0.19729 1.00000
Li2 Li 0.00000 0.00000 0.39895 1.00000
Li3 Li 0.00000 0.00000 0.60105 1.00000
Li4 Li 0.00000 0.00000 0.80271 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.50000 0.50000 0.09756 1.00000
Au2 Au 0.50000 0.50000 0.29817 1.00000
Au3 Au 0.50000 0.50000 0.50000 1.00000
Au4 Au 0.50000 0.50000 0.70183 1.00000
Au5 Au 0.50000 0.50000 0.90244 1.00000
获取直接链接