LiLaZnAu
Alexandria ALEXAlex-ID: agm005209765 · 空间群: P4/nmm (#129)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD_1536_spg129
LiLaAu LaZnAu LaZn2 Li3Au
2022-07-10 14:10:26.329975
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005209765).
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 agm005209765
data_agm005209765
_cell_length_a 4.04834
_cell_length_b 4.04834
_cell_length_c 11.08112
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 181.60916
_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 0.50000 1.00000
Li2 Li 0.50000 0.50000 0.50000 1.00000
La1 La 0.00000 0.50000 0.79673 1.00000
La2 La 0.50000 0.00000 0.20327 1.00000
Zn1 Zn 0.00000 0.50000 0.33648 1.00000
Zn2 Zn 0.50000 0.00000 0.66352 1.00000
Au1 Au 0.50000 0.00000 0.91819 1.00000
Au2 Au 0.00000 0.50000 0.08181 1.00000
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