ThAl2Au3
Alexandria ALEXAlex-ID: agm005704341 · 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
AB2C3_2060_spg12
AlAu Th2(AlAu3)3 Th(AlAu)2
2023-08-07 02:58:35.353669
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704341).
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 agm005704341
data_agm005704341
_cell_length_a 4.68418
_cell_length_b 9.42221
_cell_length_c 8.68876
_cell_angle_alpha 134.71133
_cell_angle_beta 105.63905
_cell_angle_gamma 90.00047
_cell_volume 252.15568
_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
Th1 Th 0.00000 0.50000 0.00000 1.00000
Th2 Th 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.70034 0.62338 0.40073 1.00000
Al2 Al 0.29960 0.87662 0.59927 1.00000
Al3 Al 0.70040 0.12338 0.40073 1.00000
Al4 Al 0.29966 0.37662 0.59927 1.00000
Au1 Au 0.50023 0.25000 0.00000 1.00000
Au2 Au 0.49977 0.75000 1.00000 1.00000
Au3 Au 0.19430 0.49495 0.38862 1.00000
Au4 Au 0.80569 0.00505 0.61138 1.00000
Au5 Au 0.80570 0.50505 0.61138 1.00000
Au6 Au 0.19431 0.99495 0.38862 1.00000
获取直接链接