Y(Zn5Cu)2
Alexandria ALEXAlex-ID: agm003385913 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C10_0_spg69
Zn3Cu Y2Zn17 YZn9Cu2
2022-02-12 11:23:43.390657
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003385913).
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 agm003385913
data_agm003385913
_cell_length_a 5.07252
_cell_length_b 6.75597
_cell_length_c 6.77569
_cell_angle_alpha 81.92192
_cell_angle_beta 68.01788
_cell_angle_gamma 67.95034
_cell_volume 199.57160
_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
Y1 Y 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.35101 0.64141 0.65658 1.00000
Zn2 Zn 0.64899 0.35859 0.34342 1.00000
Zn3 Zn 0.99241 0.35859 0.65658 1.00000
Zn4 Zn 0.00759 0.64141 0.34342 1.00000
Zn5 Zn 0.00000 0.00000 0.50000 1.00000
Zn6 Zn 0.50000 0.00000 0.50000 1.00000
Zn7 Zn 0.28232 0.22199 0.21337 1.00000
Zn8 Zn 0.71768 0.77801 0.78663 1.00000
Zn9 Zn 0.50431 0.77801 0.21337 1.00000
Zn10 Zn 0.49569 0.22199 0.78663 1.00000
Cu1 Cu 0.00000 0.50000 0.00000 1.00000
Cu2 Cu 0.50000 0.50000 0.00000 1.00000
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