Pu2U4P3N2
Alexandria ALEXAlex-ID: agm004490965 · 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
A2B2C3D4_57_spg139
Pu5UP6 Pu4P3 U2P UN
2022-06-18 04:08:50.506810
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004490965).
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 agm004490965
data_agm004490965
_cell_length_a 4.74603
_cell_length_b 4.74603
_cell_length_c 10.79661
_cell_angle_alpha 102.69685
_cell_angle_beta 102.69685
_cell_angle_gamma 90.00000
_cell_volume 231.14517
_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 0.11998 0.11998 0.23997 1.00000
Pu2 Pu 0.88002 0.88002 0.76003 1.00000
U1 U 0.15931 0.65931 0.31863 1.00000
U2 U 0.65931 0.15931 0.31863 1.00000
U3 U 0.34069 0.84069 0.68137 1.00000
U4 U 0.84069 0.34069 0.68137 1.00000
P1 P 0.00000 0.00000 0.00000 1.00000
P2 P 0.75616 0.75615 0.51231 1.00000
P3 P 0.24384 0.24385 0.48769 1.00000
N1 N 0.67176 0.67176 0.34351 1.00000
N2 N 0.32824 0.32824 0.65649 1.00000
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