La2Nd5Dy12
Alexandria ALEXAlex-ID: agm003372091 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C12_28_spg12
La3Nd5 Nd3Dy5 LaDy4
2022-02-07 01:03:21.165186
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003372091).
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 agm003372091
data_agm003372091
_cell_length_a 9.36936
_cell_length_b 12.46678
_cell_length_c 8.71164
_cell_angle_alpha 132.69726
_cell_angle_beta 90.00000
_cell_angle_gamma 112.07209
_cell_volume 642.71592
_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
La1 La 0.67779 1.00000 1.00000 1.00000
La2 La 0.32221 0.00000 0.00000 1.00000
Nd1 Nd 0.29502 0.59004 0.60723 1.00000
Nd2 Nd 0.23004 0.46009 0.88743 1.00000
Nd3 Nd 0.00000 0.00000 0.50000 1.00000
Nd4 Nd 0.76996 0.53991 0.11257 1.00000
Nd5 Nd 0.70498 0.40996 0.39277 1.00000
Dy1 Dy 0.08030 0.16061 0.28339 1.00000
Dy2 Dy 0.02743 0.69939 0.94144 1.00000
Dy3 Dy 0.67196 0.69939 0.94144 1.00000
Dy4 Dy 0.18264 0.74321 0.40317 1.00000
Dy5 Dy 0.56058 0.74321 0.40317 1.00000
Dy6 Dy 0.55849 0.11698 0.78197 1.00000
Dy7 Dy 0.44151 0.88302 0.21803 1.00000
Dy8 Dy 0.81736 0.25679 0.59683 1.00000
Dy9 Dy 0.43942 0.25679 0.59683 1.00000
Dy10 Dy 0.97257 0.30061 0.05856 1.00000
Dy11 Dy 0.32804 0.30061 0.05856 1.00000
Dy12 Dy 0.91970 0.83939 0.71661 1.00000
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