Pu2UGe
Alexandria ALEXAlex-ID: agm005682748 · 空间群: Pmn2_1 (#31)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_8470_spg31
Pu5Ge3 Pu U
2023-07-12 05:18:29.489605
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005682748).
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 agm005682748
data_agm005682748
_cell_length_a 3.64171
_cell_length_b 6.87065
_cell_length_c 7.12354
_cell_angle_alpha 90.00001
_cell_angle_beta 89.98520
_cell_angle_gamma 89.99994
_cell_volume 178.23763
_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 0.29951 0.66520 0.77967 1.00000
Pu2 Pu 0.29891 0.62488 0.42381 1.00000
Pu3 Pu 0.79913 0.12488 0.36022 1.00000
Pu4 Pu 0.79852 0.16520 0.00436 1.00000
U1 U 0.79947 0.89479 0.70610 1.00000
U2 U 0.29856 0.39479 0.07793 1.00000
Ge1 Ge 0.79908 0.74851 0.10643 1.00000
Ge2 Ge 0.29896 0.24851 0.67760 1.00000
获取直接链接