AlAs
Alexandria ALEXAlex-ID: agm005485041 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_1719_spg8
AlAs
2023-03-18 04:30:13.474128
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005485041).
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 agm005485041
data_agm005485041
_cell_length_a 6.49479
_cell_length_b 6.49479
_cell_length_c 6.60780
_cell_angle_alpha 65.44753
_cell_angle_beta 65.44753
_cell_angle_gamma 33.55350
_cell_volume 138.79423
_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 0.02603 0.02603 0.95006 1.00000
Al2 Al 0.19968 0.19968 0.25971 1.00000
Al3 Al 0.46004 0.46004 0.39331 1.00000
As1 As 0.64423 0.64423 0.00684 1.00000
As2 As 0.00434 0.00434 0.59800 1.00000
As3 As 0.83235 0.83235 0.29208 1.00000
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