LaAl4Cu2Si
Alexandria ALEXAlex-ID: agm005249658 · 空间群: Pmm2 (#25)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_21_spg123
La2Al4Cu3Si2 LaAl8Cu4Si LaAlSi
2023-04-21 00:12:37.092513
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005249658).
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 agm005249658
data_agm005249658
_cell_length_a 4.25381
_cell_length_b 4.26202
_cell_length_c 7.94217
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 143.99024
_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
La1 La 0.00000 0.00000 0.99246 1.00000
Al1 Al 0.00000 0.50000 0.33373 1.00000
Al2 Al 0.50000 0.00000 0.34170 1.00000
Al3 Al 0.00000 0.50000 0.67394 1.00000
Al4 Al 0.50000 0.50000 0.13586 1.00000
Cu1 Cu 0.00000 0.00000 0.51043 1.00000
Cu2 Cu 0.50000 0.50000 0.83230 1.00000
Si1 Si 0.50000 0.00000 0.67958 1.00000
