Pu2Zr5Np2
Alexandria ALEXAlex-ID: agm009763087 · 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
A2B2C5_497_spg12
Pu Zr Np
2024-03-09 03:14:48.333833
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009763087).
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 agm009763087
data_agm009763087
_cell_length_a 3.37260
_cell_length_b 7.69860
_cell_length_c 7.90122
_cell_angle_alpha 89.94908
_cell_angle_beta 81.41306
_cell_angle_gamma 75.82511
_cell_volume 196.53751
_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
Pu1 Pu 0.18301 0.35166 0.03205 1.00000
Pu2 Pu 0.81699 0.64834 0.96795 1.00000
Zr1 Zr 0.33167 0.01451 0.33719 1.00000
Zr2 Zr 0.66833 0.98549 0.66281 1.00000
Zr3 Zr 0.05678 0.65813 0.37051 1.00000
Zr4 Zr 0.94322 0.34187 0.62949 1.00000
Zr5 Zr 0.00000 0.00000 0.00000 1.00000
Np1 Np 0.61629 0.34005 0.24693 1.00000
Np2 Np 0.38371 0.65995 0.75307 1.00000
获取直接链接