Li5Cu5Ni2
Alexandria ALEXAlex-ID: agm005645077 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_168_spg2
LiCu2 Li6Cu7 LiNi
2023-06-19 03:04:46.087758
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005645077).
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 agm005645077
data_agm005645077
_cell_length_a 4.21709
_cell_length_b 4.63825
_cell_length_c 9.06021
_cell_angle_alpha 72.08901
_cell_angle_beta 69.32981
_cell_angle_gamma 63.17756
_cell_volume 145.61814
_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 0.50000 0.50000 0.50000 1.00000
Li2 Li 0.32345 0.35224 0.99887 1.00000
Li3 Li 0.40789 0.91719 0.25035 1.00000
Li4 Li 0.59211 0.08281 0.74965 1.00000
Li5 Li 0.67655 0.64776 0.00113 1.00000
Cu1 Cu 0.83418 0.81850 0.50555 1.00000
Cu2 Cu 0.25457 0.76613 0.74428 1.00000
Cu3 Cu 0.74543 0.23387 0.25572 1.00000
Cu4 Cu 0.16582 0.18150 0.49445 1.00000
Cu5 Cu 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.92827 0.40431 0.74964 1.00000
Ni2 Ni 0.07173 0.59569 0.25036 1.00000
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