LaPr4ZrNp2
Alexandria ALEXAlex-ID: agm013376765 · 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_54_spg6
La3Pr5 Zr Pr Np
2024-06-28 11:54:21.941529
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013376765).
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 agm013376765
data_agm013376765
_cell_length_a 5.87597
_cell_length_b 5.87597
_cell_length_c 7.29480
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 251.86799
_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 0.00000 0.00000 0.50000 1.00000
Pr1 Pr 0.00000 0.50000 0.76738 1.00000
Pr2 Pr 0.00000 0.50000 0.23262 1.00000
Pr3 Pr 0.50000 0.00000 0.23262 1.00000
Pr4 Pr 0.50000 0.00000 0.76738 1.00000
Zr1 Zr 0.50000 0.50000 0.00000 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
Np2 Np 0.50000 0.50000 0.50000 1.00000
获取直接链接