PuAl2GaH8
Alexandria ALEXAlex-ID: agm007193535 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_37_spg148
PuAlH6 PuGa3 AlH3
2024-01-28 09:08:23.474745
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007193535).
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 agm007193535
data_agm007193535
_cell_length_a 8.32064
_cell_length_b 8.32064
_cell_length_c 8.32064
_cell_angle_alpha 28.36978
_cell_angle_beta 28.36978
_cell_angle_gamma 28.36978
_cell_volume 114.93558
_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 0.50000 0.50000 0.50000 1.00000
Al1 Al 0.25801 0.25801 0.25801 1.00000
Al2 Al 0.74199 0.74199 0.74199 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
H1 H 0.17748 0.17748 0.17748 1.00000
H2 H 0.63685 0.26907 0.82874 1.00000
H3 H 0.82252 0.82252 0.82252 1.00000
H4 H 0.82874 0.63685 0.26907 1.00000
H5 H 0.17126 0.36315 0.73093 1.00000
H6 H 0.26907 0.82874 0.63685 1.00000
H7 H 0.73093 0.17126 0.36315 1.00000
H8 H 0.36315 0.73093 0.17126 1.00000
获取直接链接