NdDy2Bi3
Alexandria ALEXAlex-ID: agm032744531 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_36_spg70
NdDy2Bi3
2025-02-02 10:55:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032744531).
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 agm032744531
data_agm032744531
_cell_length_a 14.99943
_cell_length_b 14.30547
_cell_length_c 7.82284
_cell_angle_alpha 79.48111
_cell_angle_beta 69.66986
_cell_angle_gamma 30.84902
_cell_volume 783.39697
_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
Nd1 Nd 0.91685 0.91685 0.08315 1.00000
Nd2 Nd 0.33315 0.33315 0.16685 1.00000
Nd3 Nd 0.16685 0.16685 0.33315 1.00000
Nd4 Nd 0.08315 0.08315 0.91685 1.00000
Dy1 Dy 0.00107 0.00107 0.49893 1.00000
Dy2 Dy 0.41574 0.41574 0.58426 1.00000
Dy3 Dy 0.83426 0.83426 0.66574 1.00000
Dy4 Dy 0.24893 0.24893 0.75107 1.00000
Dy5 Dy 0.75107 0.75107 0.24893 1.00000
Dy6 Dy 0.66574 0.66574 0.83426 1.00000
Dy7 Dy 0.58426 0.58426 0.41574 1.00000
Dy8 Dy 0.49893 0.49893 0.00107 1.00000
Bi1 Bi 0.66841 0.16735 0.82559 1.00000
Bi2 Bi 0.16735 0.66841 0.33865 1.00000
Bi3 Bi 0.58159 0.08265 0.42441 1.00000
Bi4 Bi 0.08265 0.58159 0.91135 1.00000
Bi5 Bi 0.50711 0.99289 0.99289 1.00000
Bi6 Bi 0.99289 0.50711 0.50711 1.00000
Bi7 Bi 0.91135 0.42441 0.08265 1.00000
Bi8 Bi 0.42441 0.91135 0.58159 1.00000
Bi9 Bi 0.33865 0.82559 0.16735 1.00000
Bi10 Bi 0.82559 0.33865 0.66841 1.00000
Bi11 Bi 0.74289 0.25711 0.25711 1.00000
Bi12 Bi 0.25711 0.74289 0.74289 1.00000
