Ru2Cl
Alexandria ALEXAlex-ID: agm005472017 · 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
AB2_2260_spg12
RuCl3 Ru
2023-03-20 14:02:59.925637
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005472017).
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 agm005472017
data_agm005472017
_cell_length_a 5.06164
_cell_length_b 5.06164
_cell_length_c 9.67925
_cell_angle_alpha 63.59946
_cell_angle_beta 63.59946
_cell_angle_gamma 32.86117
_cell_volume 119.22609
_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 0.88031 0.88031 0.12756 1.00000
Ru2 Ru 0.37672 0.37672 0.90528 1.00000
Ru3 Ru 0.11969 0.11969 0.87244 1.00000
Ru4 Ru 0.62328 0.62328 0.09472 1.00000
Cl1 Cl 0.05174 0.05174 0.66278 1.00000
Cl2 Cl 0.94826 0.94826 0.33722 1.00000
获取直接链接