Ru5Rh7
Alexandria ALEXAlex-ID: agm003293151 · 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
A5B7_116_spg12
RuRh Rh
2022-01-17 08:36:40.118106
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003293151).
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 agm003293151
data_agm003293151
_cell_length_a 4.11428
_cell_length_b 4.65163
_cell_length_c 13.21862
_cell_angle_alpha 124.13124
_cell_angle_beta 90.00000
_cell_angle_gamma 116.24692
_cell_volume 177.01339
_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
Ru1 Ru 0.27566 0.55133 0.57516 1.00000
Ru2 Ru 0.72434 0.44867 0.42484 1.00000
Ru3 Ru 0.40623 0.81247 0.19263 1.00000
Ru4 Ru 0.59377 0.18753 0.80737 1.00000
Ru5 Ru 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.07071 0.14141 0.67014 1.00000
Rh2 Rh 0.92929 0.85859 0.32986 1.00000
Rh3 Rh 0.15003 0.30007 0.24871 1.00000
Rh4 Rh 0.84997 0.69993 0.75129 1.00000
Rh5 Rh 0.72794 0.45588 0.05009 1.00000
Rh6 Rh 0.50000 0.00000 0.50000 1.00000
Rh7 Rh 0.27206 0.54412 0.94991 1.00000
获取直接链接