PuUF7
Alexandria ALEXAlex-ID: agm024115417 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_8_spg4
PuU3F15 PuF3
2025-01-25 16:20:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024115417).
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 agm024115417
data_agm024115417
_cell_length_a 6.42566
_cell_length_b 6.15352
_cell_length_c 8.71175
_cell_angle_alpha 90.00000
_cell_angle_beta 103.17704
_cell_angle_gamma 90.00000
_cell_volume 335.39668
_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 0.31396 0.29504 0.72810 1.00000
Pu2 Pu 0.68604 0.79504 0.27190 1.00000
U1 U 0.15620 0.29785 0.19060 1.00000
U2 U 0.84380 0.79785 0.80940 1.00000
F1 F 0.97932 0.08033 0.99042 1.00000
F2 F 0.02068 0.58033 0.00958 1.00000
F3 F 0.40637 0.55921 0.25807 1.00000
F4 F 0.59363 0.05921 0.74193 1.00000
F5 F 0.41281 0.04300 0.25064 1.00000
F6 F 0.58719 0.54300 0.74936 1.00000
F7 F 0.95285 0.04189 0.28778 1.00000
F8 F 0.04715 0.54189 0.71222 1.00000
F9 F 0.26731 0.30285 0.46450 1.00000
F10 F 0.73269 0.80285 0.53550 1.00000
F11 F 0.35204 0.30144 0.99177 1.00000
F12 F 0.64796 0.80144 0.00823 1.00000
F13 F 0.90492 0.50152 0.27502 1.00000
F14 F 0.09508 0.00152 0.72498 1.00000
获取直接链接