Dy5Mg5Ag2
Alexandria ALEXAlex-ID: agm005656142 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_60_spg166
DyMgAg DyMg
2023-06-20 16:45:38.989231
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656142).
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 agm005656142
data_agm005656142
_cell_length_a 5.28766
_cell_length_b 5.28766
_cell_length_c 13.34507
_cell_angle_alpha 78.45571
_cell_angle_beta 78.45571
_cell_angle_gamma 59.99472
_cell_volume 314.36868
_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 0.85797 0.85797 0.42644 1.00000
Dy2 Dy 0.39994 0.39994 0.80007 1.00000
Dy3 Dy 0.60006 0.60006 0.19993 1.00000
Dy4 Dy 0.14203 0.14203 0.57356 1.00000
Dy5 Dy 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.50000 0.50000 0.50000 1.00000
Mg2 Mg 0.30743 0.30743 0.07648 1.00000
Mg3 Mg 0.22684 0.22684 0.31858 1.00000
Mg4 Mg 0.77316 0.77316 0.68142 1.00000
Mg5 Mg 0.69257 0.69257 0.92352 1.00000
Ag1 Ag 0.07080 0.07080 0.78715 1.00000
Ag2 Ag 0.92920 0.92920 0.21285 1.00000
获取直接链接