Al4V2In
Alexandria ALEXAlex-ID: agm002196330 · 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
AB2C4_115_spg139
Al3V AlV In
2018-06-29 16:15:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002196330).
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 agm002196330
data_agm002196330
_cell_length_a 5.09751
_cell_length_b 5.44488
_cell_length_c 5.44488
_cell_angle_alpha 77.38685
_cell_angle_beta 62.05935
_cell_angle_gamma 62.05935
_cell_volume 117.94563
_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
V1 V 0.74986 0.50010 0.50010 1.00000
V2 V 0.25014 0.49990 0.49990 1.00000
Al1 Al 0.29919 0.40168 0.00008 1.00000
Al2 Al 0.70081 0.59832 0.99992 1.00000
Al3 Al 0.70081 0.99992 0.59832 1.00000
Al4 Al 0.29919 0.00008 0.40168 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
获取直接链接