LaPm(PrNd2)2
Alexandria ALEXAlex-ID: agm004865026 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_449_spg10
La3PrNd4 Pm2Nd Pr PrNd2
2022-07-16 19:04:20.386258
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004865026).
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 agm004865026
data_agm004865026
_cell_length_a 3.70366
_cell_length_b 12.28678
_cell_length_c 6.39017
_cell_angle_alpha 79.66084
_cell_angle_beta 89.99982
_cell_angle_gamma 89.99966
_cell_volume 286.06978
_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 0.50000 0.50000 1.00000 1.00000
Pm1 Pm 0.00000 0.49999 0.50000 1.00000
Pr1 Pr 0.00000 0.00000 1.00000 1.00000
Pr2 Pr 0.50000 0.00000 0.50000 1.00000
Nd1 Nd 0.00000 0.75014 0.75058 1.00000
Nd2 Nd 1.00000 0.24986 0.24942 1.00000
Nd3 Nd 0.50000 0.74927 0.25117 1.00000
Nd4 Nd 0.50000 0.25073 0.74883 1.00000
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