Al2In5Ga2
Alexandria ALEXAlex-ID: agm009355505 · 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
A2B2C5_492_spg2
Al19Ga In AlGa4
2024-05-28 05:46:34.784624
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009355505).
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 agm009355505
data_agm009355505
_cell_length_a 4.72540
_cell_length_b 4.72540
_cell_length_c 15.41654
_cell_angle_alpha 74.18140
_cell_angle_beta 74.18140
_cell_angle_gamma 40.24152
_cell_volume 212.80700
_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 0.33475 0.33475 0.67632 1.00000
Al2 Al 0.66525 0.66525 0.32368 1.00000
In1 In 0.10654 0.10654 0.56548 1.00000
In2 In 0.89346 0.89346 0.43452 1.00000
In3 In 0.19962 0.19962 0.13408 1.00000
In4 In 0.80038 0.80038 0.86592 1.00000
In5 In 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.42005 0.42005 0.24752 1.00000
Ga2 Ga 0.57995 0.57995 0.75248 1.00000
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