Nd2Dy2Mg
Alexandria ALEXAlex-ID: agm005814596 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_2484_spg139
Nd2Dy7 Nd3Dy5 NdMg
2023-08-03 22:55:36.655601
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005814596).
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 agm005814596
data_agm005814596
_cell_length_a 3.63175
_cell_length_b 7.27809
_cell_length_c 13.24274
_cell_angle_alpha 114.37266
_cell_angle_beta 97.88136
_cell_angle_gamma 90.00000
_cell_volume 315.20632
_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 0.40599 0.85891 0.81198 1.00000
Nd2 Nd 0.40599 0.35891 0.81198 1.00000
Nd3 Nd 0.59401 0.14109 0.18802 1.00000
Nd4 Nd 0.59401 0.64109 0.18802 1.00000
Dy1 Dy 0.19853 0.54778 0.39707 1.00000
Dy2 Dy 0.80146 0.95222 0.60293 1.00000
Dy3 Dy 0.80147 0.45222 0.60293 1.00000
Dy4 Dy 0.19854 0.04778 0.39707 1.00000
Mg1 Mg 0.00001 0.25000 0.00000 1.00000
Mg2 Mg 0.99999 0.75000 1.00000 1.00000
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