Nd8Dy3Mg
Alexandria ALEXAlex-ID: agm006012415 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_331_spg121
Nd3Dy5 Nd NdMg
2023-09-08 10:48:34.313304
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006012415).
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 agm006012415
data_agm006012415
_cell_length_a 8.44749
_cell_length_b 8.44749
_cell_length_c 8.44749
_cell_angle_alpha 93.64706
_cell_angle_beta 117.91719
_cell_angle_gamma 117.91718
_cell_volume 438.71133
_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 0.50170 0.25980 0.25980 1.00000
Nd2 Nd 0.49830 0.75810 0.75810 1.00000
Nd3 Nd 0.00000 0.74020 0.24190 1.00000
Nd4 Nd 0.00000 0.24190 0.74020 1.00000
Nd5 Nd 0.25432 0.37883 0.37883 1.00000
Nd6 Nd 0.74568 0.12451 0.12451 1.00000
Nd7 Nd 1.00000 0.62117 0.87549 1.00000
Nd8 Nd 0.00000 0.87549 0.62117 1.00000
Dy1 Dy 0.50000 0.75000 0.25000 1.00000
Dy2 Dy 0.50000 0.25000 0.75000 1.00000
Dy3 Dy 0.00000 0.50000 0.50000 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
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