HfAl4Ni
Alexandria ALEXAlex-ID: agm002196239 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_5_spg63
HfAl3 Al3Ni2 HfAl2
2018-07-16 13:49:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002196239).
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 agm002196239
data_agm002196239
_cell_length_a 3.95543
_cell_length_b 6.55074
_cell_length_c 7.65941
_cell_angle_alpha 90.00000
_cell_angle_beta 105.01811
_cell_angle_gamma 90.00000
_cell_volume 191.68434
_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
Ni1 Ni 0.27208 0.25000 0.54379 1.00000
Ni2 Ni 0.72792 0.75000 0.45621 1.00000
Hf1 Hf 0.38126 0.75000 0.76179 1.00000
Hf2 Hf 0.61874 0.25000 0.23821 1.00000
Al1 Al 0.81504 0.05043 0.62938 1.00000
Al2 Al 0.18496 0.94957 0.37062 1.00000
Al3 Al 0.18496 0.55043 0.37062 1.00000
Al4 Al 0.81504 0.44957 0.62938 1.00000
Al5 Al 0.00000 0.50000 0.00000 1.00000
Al6 Al 0.00000 0.00000 0.00000 1.00000
Al7 Al 0.42924 0.25000 0.85739 1.00000
Al8 Al 0.57076 0.75000 0.14261 1.00000
获取直接链接