LiZn3Cu
Alexandria ALEXAlex-ID: agm003705707 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_2790_spg14
LiZn2Cu LiZn3 Zn8Cu5
2022-04-16 03:10:27.511838
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003705707).
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 agm003705707
data_agm003705707
_cell_length_a 5.64790
_cell_length_b 7.25792
_cell_length_c 7.25792
_cell_angle_alpha 91.41253
_cell_angle_beta 90.00018
_cell_angle_gamma 90.00018
_cell_volume 297.42608
_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 0.25000 0.74864 0.25136 1.00000
Li2 Li 0.75000 0.25136 0.74864 1.00000
Li3 Li 0.25000 0.24868 0.75132 1.00000
Li4 Li 0.75000 0.75132 0.24868 1.00000
Zn1 Zn 0.62269 0.89200 0.89896 1.00000
Zn2 Zn 0.87731 0.10104 0.10800 1.00000
Zn3 Zn 0.37731 0.10800 0.10104 1.00000
Zn4 Zn 0.12269 0.89896 0.89200 1.00000
Zn5 Zn 0.63432 0.40573 0.09427 1.00000
Zn6 Zn 0.86568 0.90573 0.59427 1.00000
Zn7 Zn 0.36568 0.59427 0.90573 1.00000
Zn8 Zn 0.13432 0.09427 0.40573 1.00000
Zn9 Zn 0.62268 0.60105 0.60800 1.00000
Zn10 Zn 0.87732 0.39200 0.39895 1.00000
Zn11 Zn 0.37732 0.39895 0.39200 1.00000
Zn12 Zn 0.12268 0.60800 0.60105 1.00000
Cu1 Cu 0.88427 0.60059 0.89941 1.00000
Cu2 Cu 0.61573 0.10059 0.39941 1.00000
Cu3 Cu 0.11573 0.39941 0.10059 1.00000
Cu4 Cu 0.38427 0.89941 0.60059 1.00000
