Ac2Dy12Au7
Alexandria ALEXAlex-ID: agm005668258 · 空间群: P-6 (#174)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B7C12_1_spg174
Dy2Au Ac7Au3 DyAu
2023-06-21 07:04:21.341990
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668258).
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 agm005668258
data_agm005668258
_cell_length_a 4.91568
_cell_length_b 11.79551
_cell_length_c 11.79550
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 592.30739
_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
Ac1 Ac 0.50000 0.00000 0.00000 1.00000
Ac2 Ac 0.00000 0.66667 0.33333 1.00000
Dy1 Dy 0.50000 0.88241 0.60046 1.00000
Dy2 Dy 0.50000 0.71805 0.11759 1.00000
Dy3 Dy 0.50000 0.39954 0.28195 1.00000
Dy4 Dy 0.50000 0.23043 0.78355 1.00000
Dy5 Dy 0.50000 0.55311 0.76957 1.00000
Dy6 Dy 0.50000 0.21645 0.44688 1.00000
Dy7 Dy 0.00000 0.05487 0.54124 1.00000
Dy8 Dy 0.00000 0.48638 0.94513 1.00000
Dy9 Dy 0.00000 0.45876 0.51362 1.00000
Dy10 Dy 0.00000 0.77772 0.74119 1.00000
Dy11 Dy 0.00000 0.96347 0.22228 1.00000
Dy12 Dy 0.00000 0.25881 0.03653 1.00000
Au1 Au 0.00000 0.33333 0.66667 1.00000
Au2 Au 0.00000 0.03561 0.77547 1.00000
Au3 Au 0.00000 0.73986 0.96439 1.00000
Au4 Au 0.00000 0.22453 0.26014 1.00000
Au5 Au 0.50000 0.62014 0.55908 1.00000
Au6 Au 0.50000 0.93895 0.37986 1.00000
Au7 Au 0.50000 0.44092 0.06105 1.00000
