LiNdDy
Alexandria ALEXAlex-ID: agm005686743 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_2603_spg156
Nd3Dy5 Li Nd
2023-06-17 19:39:50.377137
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686743).
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 agm005686743
data_agm005686743
_cell_length_a 3.55691
_cell_length_b 3.55691
_cell_length_c 20.54824
_cell_angle_alpha 121.22758
_cell_angle_beta 121.22759
_cell_angle_gamma 60.02548
_cell_volume 180.37339
_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
Li1 Li 0.96847 0.96847 0.56736 1.00000
Li2 Li 0.03153 0.03153 0.43264 1.00000
Nd1 Nd 0.64469 0.64469 0.90538 1.00000
Nd2 Nd 0.35531 0.35531 0.09462 1.00000
Dy1 Dy 0.95964 0.95964 0.72944 1.00000
Dy2 Dy 0.04036 0.04036 0.27056 1.00000
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