Li5Zn2Au5
Alexandria ALEXAlex-ID: agm005654628 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_60_spg166
LiZn2Au LiAu
2023-06-19 02:56:39.404394
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654628).
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 agm005654628
data_agm005654628
_cell_length_a 4.46618
_cell_length_b 4.46265
_cell_length_c 11.94774
_cell_angle_alpha 90.00239
_cell_angle_beta 79.22781
_cell_angle_gamma 59.97382
_cell_volume 201.30993
_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 0.50000 0.50000 1.00000
Li2 Li 0.61725 0.69269 0.07281 1.00000
Li3 Li 0.44798 0.77844 0.32560 1.00000
Li4 Li 0.55202 0.22156 0.67440 1.00000
Li5 Li 0.38275 0.30731 0.92719 1.00000
Zn1 Zn 0.14995 0.92062 0.77947 1.00000
Zn2 Zn 0.85005 0.07938 0.22053 1.00000
Au1 Au 0.70688 0.14666 0.43959 1.00000
Au2 Au 0.78852 0.60202 0.82094 1.00000
Au3 Au 0.21148 0.39798 0.17906 1.00000
Au4 Au 0.29312 0.85334 0.56041 1.00000
Au5 Au 0.00000 0.00000 0.00000 1.00000
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