Al4Zn8Cu
Alexandria ALEXAlex-ID: agm097535522 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1204_spg6
Al2Cu Al3Zn4 Zn
2025-06-02 04:44:43
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097535522).
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}
}
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# CIF generated by HEAS from Alexandria entry agm097535522
data_agm097535522
_cell_length_a 7.32701
_cell_length_b 7.32701
_cell_length_c 4.25405
_cell_angle_alpha 88.51802
_cell_angle_beta 91.48198
_cell_angle_gamma 113.01990
_cell_volume 210.09171
_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 0.05026 0.94974 0.04377 1.00000
Al2 Al 0.44321 0.01529 0.08315 1.00000
Al3 Al 0.98471 0.55679 0.08315 1.00000
Al4 Al 0.56394 0.43606 0.94281 1.00000
Zn1 Zn 0.58853 0.82803 0.73107 1.00000
Zn2 Zn 0.20795 0.79205 0.60227 1.00000
Zn3 Zn 0.71395 0.28605 0.49750 1.00000
Zn4 Zn 0.17197 0.41147 0.73107 1.00000
Zn5 Zn 0.80604 0.67878 0.49339 1.00000
Zn6 Zn 0.38240 0.61760 0.24185 1.00000
Zn7 Zn 0.83465 0.16535 0.02219 1.00000
Zn8 Zn 0.32122 0.19396 0.49339 1.00000
Cu1 Cu 0.93852 0.06148 0.53275 1.00000
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