Pr2Nd4HoEr
Alexandria ALEXAlex-ID: agm004866366 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_443_spg123
PrNd2 Nd3(Ho2Er)2 Nd3(HoEr2)2 PrHoEr
2022-07-19 11:49:04.572288
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004866366).
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 agm004866366
data_agm004866366
_cell_length_a 5.18031
_cell_length_b 5.15597
_cell_length_c 11.50620
_cell_angle_alpha 63.27127
_cell_angle_beta 89.99960
_cell_angle_gamma 89.99966
_cell_volume 274.48588
_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
Pr1 Pr 0.00000 0.00000 1.00000 1.00000
Pr2 Pr 0.50000 0.00000 0.50000 1.00000
Nd1 Nd 0.00000 0.75043 0.74979 1.00000
Nd2 Nd 1.00000 0.24958 0.25021 1.00000
Nd3 Nd 0.50000 0.75094 0.24920 1.00000
Nd4 Nd 0.50000 0.24906 0.75079 1.00000
Ho1 Ho 0.00000 0.49999 0.50000 1.00000
Er1 Er 0.50000 0.50000 1.00000 1.00000
获取直接链接