LiNiSn6
Alexandria ALEXAlex-ID: agm003765415 · 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
ABC6_239_spg12
NiSn2 Sn LiSn
2022-04-20 04:00:22.570140
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003765415).
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 agm003765415
data_agm003765415
_cell_length_a 7.03013
_cell_length_b 7.03905
_cell_length_c 6.24201
_cell_angle_alpha 55.67792
_cell_angle_beta 69.37830
_cell_angle_gamma 51.34470
_cell_volume 199.21631
_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
Li1 Li 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.50000 0.50000 0.00000 1.00000
Sn1 Sn 0.76719 0.50311 0.56333 1.00000
Sn2 Sn 0.76719 0.06645 0.43667 1.00000
Sn3 Sn 0.23281 0.93355 0.56333 1.00000
Sn4 Sn 0.23281 0.49689 0.43667 1.00000
Sn5 Sn 0.70313 0.70043 1.00000 1.00000
Sn6 Sn 0.29687 0.29957 0.00000 1.00000
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