Dy3Cu2Ru
Alexandria ALEXAlex-ID: agm015353045 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_315_spg62
Dy2CuRu Dy5Ru2 DyCu2
2025-04-13 19:52:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015353045).
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 agm015353045
data_agm015353045
_cell_length_a 4.14763
_cell_length_b 11.25188
_cell_length_c 11.42191
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 533.04516
_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 0.75000 0.37481 0.55113 1.00000
Dy2 Dy 0.25000 0.62519 0.44887 1.00000
Dy3 Dy 0.25000 0.87481 0.94887 1.00000
Dy4 Dy 0.75000 0.12519 0.05113 1.00000
Dy5 Dy 0.75000 0.70709 0.72470 1.00000
Dy6 Dy 0.25000 0.29291 0.27530 1.00000
Dy7 Dy 0.25000 0.20709 0.77530 1.00000
Dy8 Dy 0.75000 0.79291 0.22470 1.00000
Dy9 Dy 0.75000 0.44535 0.88273 1.00000
Dy10 Dy 0.25000 0.55465 0.11727 1.00000
Dy11 Dy 0.25000 0.94535 0.61727 1.00000
Dy12 Dy 0.75000 0.05465 0.38273 1.00000
Cu1 Cu 0.75000 0.69191 0.98700 1.00000
Cu2 Cu 0.25000 0.30809 0.01300 1.00000
Cu3 Cu 0.25000 0.19191 0.51300 1.00000
Cu4 Cu 0.75000 0.80809 0.48700 1.00000
Cu5 Cu 0.75000 0.99541 0.81084 1.00000
Cu6 Cu 0.25000 0.00459 0.18916 1.00000
Cu7 Cu 0.25000 0.49541 0.68916 1.00000
Cu8 Cu 0.75000 0.50459 0.31084 1.00000
Ru1 Ru 0.75000 0.12905 0.63121 1.00000
Ru2 Ru 0.25000 0.87095 0.36879 1.00000
Ru3 Ru 0.25000 0.62905 0.86879 1.00000
Ru4 Ru 0.75000 0.37095 0.13121 1.00000
