Dy5BiHPd2
Alexandria ALEXAlex-ID: agm073029804 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_438_spg72
DyH2 Dy3Pd DyPd Dy5Bi3
2024-10-29 02:27:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073029804).
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 agm073029804
data_agm073029804
_cell_length_a 8.99438
_cell_length_b 8.99438
_cell_length_c 8.99438
_cell_angle_alpha 129.43672
_cell_angle_beta 129.43672
_cell_angle_gamma 74.30888
_cell_volume 423.08951
_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 0.20609 0.01557 0.50000 1.00000
Dy2 Dy 0.79391 0.98443 0.50000 1.00000
Dy3 Dy 0.01557 0.51557 0.80948 1.00000
Dy4 Dy 0.98443 0.48443 0.19052 1.00000
Dy5 Dy 0.51557 0.70609 0.50000 1.00000
Dy6 Dy 0.48443 0.29391 0.50000 1.00000
Dy7 Dy 0.70609 0.20609 0.19052 1.00000
Dy8 Dy 0.29391 0.79391 0.80948 1.00000
Dy9 Dy 0.00000 0.00000 0.00000 1.00000
Dy10 Dy 0.50000 0.50000 0.00000 1.00000
Bi1 Bi 0.25000 0.25000 0.00000 1.00000
Bi2 Bi 0.75000 0.75000 0.00000 1.00000
H1 H 0.75000 0.25000 0.50000 1.00000
H2 H 0.25000 0.75000 0.50000 1.00000
Pd1 Pd 0.63846 0.13846 0.77692 1.00000
Pd2 Pd 0.36154 0.86154 0.22308 1.00000
Pd3 Pd 0.13846 0.36154 0.50000 1.00000
Pd4 Pd 0.86154 0.63846 0.50000 1.00000
获取直接链接