K5(H6Ru)2
Alexandria ALEXAlex-ID: agm005669979 · 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
A2B5C12_374_spg12
H8Ru3 K3H7Ru Ru
2023-06-23 06:48:12.646178
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669979).
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 agm005669979
data_agm005669979
_cell_length_a 6.22049
_cell_length_b 7.02619
_cell_length_c 7.02619
_cell_angle_alpha 56.37912
_cell_angle_beta 93.32990
_cell_angle_gamma 93.32991
_cell_volume 255.16327
_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
K1 K 0.99062 0.24449 0.24449 1.00000
K2 K 0.50673 0.36861 0.36861 1.00000
K3 K 0.50000 0.00000 0.00000 1.00000
K4 K 0.49327 0.63139 0.63139 1.00000
K5 K 0.00938 0.75551 0.75551 1.00000
H1 H 0.91425 0.03897 0.03897 1.00000
H2 H 0.19280 0.16993 0.64139 1.00000
H3 H 0.19280 0.64139 0.16993 1.00000
H4 H 0.80488 0.12195 0.66659 1.00000
H5 H 0.80488 0.66659 0.12195 1.00000
H6 H 0.90788 0.45513 0.45513 1.00000
H7 H 0.09212 0.54487 0.54487 1.00000
H8 H 0.19512 0.87805 0.33341 1.00000
H9 H 0.19512 0.33341 0.87805 1.00000
H10 H 0.80720 0.83007 0.35861 1.00000
H11 H 0.80720 0.35861 0.83007 1.00000
H12 H 0.08575 0.96103 0.96103 1.00000
Ru1 Ru 1.00000 0.74893 0.25107 1.00000
Ru2 Ru 0.00000 0.25107 0.74893 1.00000
获取直接链接