Pr2Nd5Pd2
Alexandria ALEXAlex-ID: agm012002303 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_576_spg65
PrNd2 Nd7Pd3 Pr
2024-07-13 01:54:57.761851
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012002303).
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 agm012002303
data_agm012002303
_cell_length_a 19.84143
_cell_length_b 19.84143
_cell_length_c 3.73357
_cell_angle_alpha 95.45799
_cell_angle_beta 95.45799
_cell_angle_gamma 10.79701
_cell_volume 274.08609
_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 0.34760 0.34760 0.84795 1.00000
Pr2 Pr 0.65240 0.65240 0.15205 1.00000
Nd1 Nd 0.56474 0.56474 0.06599 1.00000
Nd2 Nd 0.43526 0.43526 0.93401 1.00000
Nd3 Nd 0.78146 0.78146 0.28165 1.00000
Nd4 Nd 0.21854 0.21854 0.71835 1.00000
Nd5 Nd 0.00000 0.00000 0.50000 1.00000
Pd1 Pd 0.89314 0.89314 0.39248 1.00000
Pd2 Pd 0.10686 0.10686 0.60752 1.00000
获取直接链接