Sr2Pu5Mn2
Alexandria ALEXAlex-ID: agm009508178 · 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
A2B2C5_720_spg166
Sr Pu Mn
2024-03-07 08:27:35.641899
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009508178).
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 agm009508178
data_agm009508178
_cell_length_a 4.15486
_cell_length_b 4.39173
_cell_length_c 13.43423
_cell_angle_alpha 90.73726
_cell_angle_beta 94.63791
_cell_angle_gamma 80.53740
_cell_volume 241.00743
_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 0.86292 0.55710 0.39207 1.00000
Sr2 Sr 0.41309 0.04578 0.63125 1.00000
Pu1 Pu 0.25174 0.02659 0.19850 1.00000
Pu2 Pu 0.47861 0.12798 0.90508 1.00000
Pu3 Pu 0.38337 0.53023 0.03050 1.00000
Pu4 Pu 0.80378 0.44536 0.82593 1.00000
Pu5 Pu 0.93731 0.97303 0.03366 1.00000
Mn1 Mn 0.72458 0.49790 0.15507 1.00000
Mn2 Mn 0.14461 0.79604 0.82794 1.00000
获取直接链接