Sr2PuI9
Alexandria ALEXAlex-ID: agm101213932 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C9_597_spg1
PuI3 I SrI2
2025-05-21 09:49:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101213932).
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 agm101213932
data_agm101213932
_cell_length_a 4.65518
_cell_length_b 13.89715
_cell_length_c 12.95912
_cell_angle_alpha 126.86285
_cell_angle_beta 76.79632
_cell_angle_gamma 99.44524
_cell_volume 652.63409
_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
Sr1 Sr 0.63921 0.51631 0.40935 1.00000
Sr2 Sr 0.83285 0.29047 0.64338 1.00000
Pu1 Pu 0.81502 0.83083 0.14936 1.00000
I1 I 0.21090 0.83101 0.31246 1.00000
I2 I 0.83771 0.10700 0.31970 1.00000
I3 I 0.42668 0.45072 0.61949 1.00000
I4 I 0.14262 0.70758 0.54977 1.00000
I5 I 0.23386 0.17826 0.71272 1.00000
I6 I 0.41663 0.82048 0.97920 1.00000
I7 I 0.16146 0.29433 0.21528 1.00000
I8 I 0.80987 0.54563 0.97822 1.00000
I9 I 0.47318 0.42737 0.11108 1.00000
获取直接链接