PuZn5Ag7
Alexandria ALEXAlex-ID: agm006068340 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C7_45_spg44
ZnAg2 PuZn2 Ag
2023-08-08 02:58:29.880805
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006068340).
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 agm006068340
data_agm006068340
_cell_length_a 5.26609
_cell_length_b 7.12875
_cell_length_c 7.12875
_cell_angle_alpha 81.83788
_cell_angle_beta 68.32411
_cell_angle_gamma 68.32412
_cell_volume 231.10361
_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 0.99815 0.00185 0.00185 1.00000
Zn1 Zn 0.50298 0.99583 0.49957 1.00000
Zn2 Zn 0.00161 0.99583 0.49957 1.00000
Zn3 Zn 0.50298 0.49957 0.99583 1.00000
Zn4 Zn 0.00161 0.49957 0.99583 1.00000
Zn5 Zn 0.71735 0.78265 0.78265 1.00000
Ag1 Ag 0.64752 0.35248 0.35248 1.00000
Ag2 Ag 0.34148 0.65852 0.65852 1.00000
Ag3 Ag 0.99945 0.34844 0.65265 1.00000
Ag4 Ag 0.99945 0.65265 0.34844 1.00000
Ag5 Ag 0.28004 0.21996 0.21996 1.00000
Ag6 Ag 0.50368 0.78651 0.20613 1.00000
Ag7 Ag 0.50368 0.20613 0.78651 1.00000
获取直接链接