Pu5(IrRu)2
Alexandria ALEXAlex-ID: agm003313331 · 空间群: Ima2 (#46)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_446_spg46
PuIr Pu5Ir3 PuRu
2022-01-22 02:29:45.865726
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003313331).
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 agm003313331
data_agm003313331
_cell_length_a 8.18656
_cell_length_b 7.20986
_cell_length_c 8.27411
_cell_angle_alpha 115.82907
_cell_angle_beta 119.65058
_cell_angle_gamma 90.00000
_cell_volume 367.23370
_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 0.25404 0.64393 0.75978 1.00000
Pu2 Pu 0.74596 0.88416 0.24023 1.00000
Pu3 Pu 0.00574 0.14393 0.75978 1.00000
Pu4 Pu 0.99426 0.38416 0.24022 1.00000
Pu5 Pu 0.38235 0.98170 0.28654 1.00000
Pu6 Pu 0.61765 0.69516 0.71346 1.00000
Pu7 Pu 0.40419 0.48170 0.28654 1.00000
Pu8 Pu 0.59581 0.19516 0.71346 1.00000
Pu9 Pu 0.19542 0.82094 0.50000 1.00000
Pu10 Pu 0.80458 0.32094 0.50000 1.00000
Ir1 Ir 1.00000 0.95042 0.00000 1.00000
Ir2 Ir 0.50000 0.45042 0.00000 1.00000
Ir3 Ir 0.17406 0.19326 0.50000 1.00000
Ir4 Ir 0.82594 0.69326 0.50000 1.00000
Ru1 Ru 0.16406 0.58957 0.01271 1.00000
Ru2 Ru 0.83594 0.57686 0.98729 1.00000
Ru3 Ru 0.34865 0.08957 0.01270 1.00000
Ru4 Ru 0.65135 0.07686 0.98729 1.00000
获取直接链接