KPu2PaSe5
Alexandria ALEXAlex-ID: agm005178296 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_40_spg71
K2Pa2Se5 Pu3Se4 Pu5PaSe8 K3Pu2PaSe6
2023-01-09 10:39:43.749069
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005178296).
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 agm005178296
data_agm005178296
_cell_length_a 5.31163
_cell_length_b 7.46880
_cell_length_c 8.53691
_cell_angle_alpha 115.94077
_cell_angle_beta 108.12542
_cell_angle_gamma 90.00000
_cell_volume 285.74454
_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
K1 K 0.00000 0.50000 0.00000 1.00000
Pu1 Pu 0.20363 0.20363 0.40726 1.00000
Pu2 Pu 0.79637 0.79637 0.59274 1.00000
Pa1 Pa 0.50000 0.00000 0.00000 1.00000
Se1 Se 0.64985 0.91059 0.29971 1.00000
Se2 Se 0.35015 0.08941 0.70029 1.00000
Se3 Se 0.35015 0.61088 0.70029 1.00000
Se4 Se 0.64985 0.38912 0.29971 1.00000
Se5 Se 0.00000 0.00000 0.00000 1.00000
获取直接链接