Al5SiNi2
Alexandria ALEXAlex-ID: agm005491859 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_188_spg71
AlSiNi Al3Ni Si
2023-03-18 07:59:16.802331
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005491859).
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
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# CIF generated by HEAS from Alexandria entry agm005491859
data_agm005491859
_cell_length_a 6.35459
_cell_length_b 6.35459
_cell_length_c 6.35459
_cell_angle_alpha 151.69779
_cell_angle_beta 103.36727
_cell_angle_gamma 83.58949
_cell_volume 115.99242
_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 0.50000 0.00000 0.50000 1.00000
Al2 Al 0.85683 0.64054 0.21629 1.00000
Al3 Al 0.14317 0.35946 0.78371 1.00000
Al4 Al 0.42424 0.64054 0.78371 1.00000
Al5 Al 0.57576 0.35946 0.21629 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.76286 0.26286 0.50000 1.00000
Ni2 Ni 0.23714 0.73714 0.50000 1.00000
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