Dy2Al6Si3Ni2
Alexandria ALEXAlex-ID: agm009181550 · 空间群: I4mm (#107)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3D6_7_spg107
Dy3Al19Ni5 DySi3Ni Al3Ni Dy2Al3Si2
2024-05-11 17:09:14.494792
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009181550).
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 agm009181550
data_agm009181550
_cell_length_a 13.65697
_cell_length_b 13.65697
_cell_length_c 13.65697
_cell_angle_alpha 162.83604
_cell_angle_beta 162.83604
_cell_angle_gamma 24.36604
_cell_volume 221.77330
_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 0.14664 0.14664 0.00000 1.00000
Dy2 Dy 0.85220 0.85220 0.00000 1.00000
Al1 Al 0.05515 0.55515 0.50000 1.00000
Al2 Al 0.55515 0.05515 0.50000 1.00000
Al3 Al 0.95354 0.45354 0.50000 1.00000
Al4 Al 0.45354 0.95354 0.50000 1.00000
Al5 Al 0.24641 0.74641 0.50000 1.00000
Al6 Al 0.74641 0.24641 0.50000 1.00000
Si1 Si 0.39287 0.39287 0.00000 1.00000
Si2 Si 0.68766 0.68766 0.00000 1.00000
Si3 Si 0.30421 0.30421 0.00000 1.00000
Ni1 Ni 0.00047 0.00047 0.00000 1.00000
Ni2 Ni 0.60575 0.60575 0.00000 1.00000
获取直接链接