Li2Cu5Ni4
Alexandria ALEXAlex-ID: agm005669274 · 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
A2B4C5_933_spg2
Li5Ni6 LiNi7 Cu
2023-06-22 02:22:13.082896
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669274).
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 agm005669274
data_agm005669274
_cell_length_a 4.96796
_cell_length_b 5.97763
_cell_length_c 8.45287
_cell_angle_alpha 44.63054
_cell_angle_beta 53.60107
_cell_angle_gamma 52.73453
_cell_volume 134.28881
_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 0.08401 0.33141 0.79903 1.00000
Li2 Li 0.91599 0.66859 0.20097 1.00000
Cu1 Cu 0.68986 0.17635 0.80186 1.00000
Cu2 Cu 0.31014 0.82365 0.19814 1.00000
Cu3 Cu 0.00000 0.00000 0.50000 1.00000
Cu4 Cu 0.18865 0.66706 0.83037 1.00000
Cu5 Cu 0.81135 0.33294 0.16963 1.00000
Ni1 Ni 0.27011 0.24212 0.50047 1.00000
Ni2 Ni 0.72989 0.75788 0.49953 1.00000
Ni3 Ni 0.54613 0.78368 0.85102 1.00000
Ni4 Ni 0.45387 0.21632 0.14898 1.00000
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