Al(ZnCu3)2
Alexandria ALEXAlex-ID: agm005677707 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_686_spg71
AlCu3 Zn8Cu5 Cu
2023-07-06 10:34:26.257454
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677707).
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 agm005677707
data_agm005677707
_cell_length_a 4.15308
_cell_length_b 6.89778
_cell_length_c 6.89782
_cell_angle_alpha 41.99934
_cell_angle_beta 72.47972
_cell_angle_gamma 72.47961
_cell_volume 125.15710
_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
Al1 Al 0.50000 0.50000 0.50000 1.00000
Zn1 Zn 0.38800 0.11200 0.11200 1.00000
Zn2 Zn 0.61200 0.88800 0.88800 1.00000
Cu1 Cu 0.19794 0.55113 0.05298 1.00000
Cu2 Cu 0.80206 0.44887 0.94702 1.00000
Cu3 Cu 0.80206 0.94703 0.44886 1.00000
Cu4 Cu 1.00000 0.24242 0.75759 1.00000
Cu5 Cu 0.00000 0.75758 0.24241 1.00000
Cu6 Cu 0.19794 0.05297 0.55114 1.00000
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