Nd4Dy5Al
Alexandria ALEXAlex-ID: agm003661138 · 空间群: I4mm (#107)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_159_spg107
Nd3Dy5 Dy2Al Nd
2022-04-06 04:02:37.051811
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661138).
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 agm003661138
data_agm003661138
_cell_length_a 5.72788
_cell_length_b 8.10789
_cell_length_c 8.10789
_cell_angle_alpha 82.83249
_cell_angle_beta 69.31507
_cell_angle_gamma 69.31507
_cell_volume 329.55824
_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 0.45698 0.31043 0.68970 1.00000
Nd2 Nd 0.76741 0.68970 0.68957 1.00000
Nd3 Nd 0.14668 0.31030 0.31043 1.00000
Nd4 Nd 0.45710 0.68957 0.31030 1.00000
Dy1 Dy 0.78273 0.36340 0.99986 1.00000
Dy2 Dy 0.14614 0.99986 0.63660 1.00000
Dy3 Dy 0.78259 0.00014 0.36340 1.00000
Dy4 Dy 0.14599 0.63660 0.00014 1.00000
Dy5 Dy 0.65450 1.00000 1.00000 1.00000
Al1 Al 0.17019 1.00000 1.00000 1.00000
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