Al2Si2Se
Alexandria ALEXAlex-ID: agm005415062 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_106_spg139
AlSiSe Al Si
2023-03-17 09:29:37.743414
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005415062).
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 agm005415062
data_agm005415062
_cell_length_a 7.25318
_cell_length_b 7.25318
_cell_length_c 7.25318
_cell_angle_alpha 151.60033
_cell_angle_beta 151.60033
_cell_angle_gamma 40.59725
_cell_volume 86.14128
_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
Al1 Al 0.60240 0.60240 0.00000 1.00000
Al2 Al 0.39760 0.39760 0.00000 1.00000
Si1 Si 0.25000 0.75000 0.50000 1.00000
Si2 Si 0.75000 0.25000 0.50000 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
获取直接链接