Zn2Cu5Ge
Alexandria ALEXAlex-ID: agm005862016 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_554_spg139
Zn8Cu5 Cu Ge
2023-08-24 10:12:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005862016).
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 agm005862016
data_agm005862016
_cell_length_a 3.79269
_cell_length_b 3.79269
_cell_length_c 7.67090
_cell_angle_alpha 104.31267
_cell_angle_beta 104.31266
_cell_angle_gamma 90.00000
_cell_volume 103.37901
_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
Zn1 Zn 0.74743 0.74743 0.49486 1.00000
Zn2 Zn 0.25257 0.25257 0.50514 1.00000
Cu1 Cu 0.50000 0.50000 0.00000 1.00000
Cu2 Cu 0.87590 0.37590 0.75179 1.00000
Cu3 Cu 0.37590 0.87590 0.75179 1.00000
Cu4 Cu 0.12410 0.62410 0.24821 1.00000
Cu5 Cu 0.62410 0.12410 0.24821 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
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