Dy3Al7Zn4
Alexandria ALEXAlex-ID: agm005702001 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C7_8_spg12
DyAl3 Dy(AlZn)2
2023-06-29 15:54:49.521033
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702001).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005702001
data_agm005702001
_cell_length_a 4.21274
_cell_length_b 8.18780
_cell_length_c 8.33263
_cell_angle_alpha 73.28932
_cell_angle_beta 75.35758
_cell_angle_gamma 75.09262
_cell_volume 261.00289
_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
Dy1 Dy 0.31613 0.17921 0.18852 1.00000
Dy2 Dy 0.68387 0.82079 0.81148 1.00000
Dy3 Dy 0.00000 0.50000 0.50000 1.00000
Al1 Al 0.33025 0.81179 0.52770 1.00000
Al2 Al 0.49358 0.22060 0.79225 1.00000
Al3 Al 0.84332 0.38979 0.92358 1.00000
Al4 Al 0.66975 0.18821 0.47230 1.00000
Al5 Al 0.15668 0.61021 0.07642 1.00000
Al6 Al 0.00000 0.00000 0.00000 1.00000
Al7 Al 0.50642 0.77940 0.20775 1.00000
Zn1 Zn 0.65825 0.45421 0.22929 1.00000
Zn2 Zn 0.34175 0.54579 0.77071 1.00000
Zn3 Zn 0.87079 0.90722 0.35121 1.00000
Zn4 Zn 0.12921 0.09278 0.64879 1.00000
获取直接链接