NiSn5
Alexandria ALEXAlex-ID: agm041747751 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5_114_spg62
NiSn2 Sn
2025-04-14 23:42:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm041747751).
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 agm041747751
data_agm041747751
_cell_length_a 4.10645
_cell_length_b 11.17703
_cell_length_c 12.87001
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 590.70687
_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 0.25000 0.65852 0.59371 1.00000
Ni2 Ni 0.75000 0.34148 0.40629 1.00000
Ni3 Ni 0.75000 0.15852 0.90629 1.00000
Ni4 Ni 0.25000 0.84148 0.09371 1.00000
Sn1 Sn 0.25000 0.90626 0.56220 1.00000
Sn2 Sn 0.75000 0.09374 0.43780 1.00000
Sn3 Sn 0.75000 0.40626 0.93780 1.00000
Sn4 Sn 0.25000 0.59374 0.06220 1.00000
Sn5 Sn 0.25000 0.26171 0.78479 1.00000
Sn6 Sn 0.75000 0.73829 0.21521 1.00000
Sn7 Sn 0.75000 0.76171 0.71521 1.00000
Sn8 Sn 0.25000 0.23829 0.28479 1.00000
Sn9 Sn 0.25000 0.98578 0.90143 1.00000
Sn10 Sn 0.75000 0.01422 0.09857 1.00000
Sn11 Sn 0.75000 0.48578 0.59857 1.00000
Sn12 Sn 0.25000 0.51422 0.40143 1.00000
Sn13 Sn 0.25000 0.23266 0.04075 1.00000
Sn14 Sn 0.75000 0.76734 0.95925 1.00000
Sn15 Sn 0.75000 0.73266 0.45925 1.00000
Sn16 Sn 0.25000 0.26734 0.54075 1.00000
Sn17 Sn 0.25000 0.55413 0.78856 1.00000
Sn18 Sn 0.75000 0.44587 0.21144 1.00000
Sn19 Sn 0.75000 0.05413 0.71144 1.00000
Sn20 Sn 0.25000 0.94587 0.28856 1.00000
