La3Nd4Er5
Alexandria ALEXAlex-ID: agm005696076 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C5_119_spg2
NdEr2 La3Nd5 LaEr2
2023-06-29 15:56:22.542814
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696076).
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 agm005696076
data_agm005696076
_cell_length_a 7.24364
_cell_length_b 11.45543
_cell_length_c 13.06262
_cell_angle_alpha 151.28683
_cell_angle_beta 56.49123
_cell_angle_gamma 129.04195
_cell_volume 404.45398
_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 0.58118 0.16239 0.33072 1.00000
La2 La 0.00000 0.00000 0.50000 1.00000
La3 La 0.41882 0.83761 0.66928 1.00000
Nd1 Nd 0.91654 0.83837 0.67064 1.00000
Nd2 Nd 0.82940 0.65932 0.83020 1.00000
Nd3 Nd 0.17060 0.34068 0.16980 1.00000
Nd4 Nd 0.08346 0.16163 0.32935 1.00000
Er1 Er 0.32940 0.66484 0.83524 1.00000
Er2 Er 0.50000 0.00000 0.50000 1.00000
Er3 Er 0.75052 0.50225 0.00181 1.00000
Er4 Er 0.24948 0.49775 0.99819 1.00000
Er5 Er 0.67060 0.33516 0.16476 1.00000
获取直接链接