Pu8Ir3Rh2
Alexandria ALEXAlex-ID: agm003355992 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C8_185_spg12
Pu5Ir3 Pu PuRh
2022-02-03 16:25:54.207677
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003355992).
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 agm003355992
data_agm003355992
_cell_length_a 5.40285
_cell_length_b 10.08001
_cell_length_c 7.87261
_cell_angle_alpha 129.80636
_cell_angle_beta 65.22863
_cell_angle_gamma 90.00000
_cell_volume 276.06527
_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 0.94058 0.66594 0.33187 1.00000
Pu2 Pu 0.05942 0.33406 0.66813 1.00000
Pu3 Pu 0.86647 0.13313 0.26625 1.00000
Pu4 Pu 0.13353 0.86687 0.73375 1.00000
Pu5 Pu 0.64266 0.61117 0.69433 1.00000
Pu6 Pu 0.64266 0.08315 0.69433 1.00000
Pu7 Pu 0.35734 0.91685 0.30567 1.00000
Pu8 Pu 0.35734 0.38883 0.30567 1.00000
Ir1 Ir 0.50000 0.00000 0.00000 1.00000
Ir2 Ir 1.00000 0.27236 1.00000 1.00000
Ir3 Ir 0.00000 0.72764 0.00000 1.00000
Rh1 Rh 0.45304 0.40042 0.80085 1.00000
Rh2 Rh 0.54696 0.59958 0.19915 1.00000
获取直接链接