Tl2Ru(ClF2)2
Alexandria ALEXAlex-ID: agm024248767 · 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
AB2C2D4_47_spg12
Tl2RuCl6 Tl2RuF6
2024-12-08 08:41:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024248767).
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 agm024248767
data_agm024248767
_cell_length_a 5.41644
_cell_length_b 6.20808
_cell_length_c 6.59628
_cell_angle_alpha 117.95498
_cell_angle_beta 88.16102
_cell_angle_gamma 89.80949
_cell_volume 195.78032
_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
Tl1 Tl 0.17446 0.35880 0.71622 1.00000
Tl2 Tl 0.82554 0.64120 0.28378 1.00000
Ru1 Ru 0.50000 0.00000 0.00000 1.00000
Cl1 Cl 0.33521 0.81658 0.63228 1.00000
Cl2 Cl 0.66479 0.18342 0.36772 1.00000
F1 F 0.26687 0.27493 0.09814 1.00000
F2 F 0.72535 0.18367 0.90380 1.00000
F3 F 0.73313 0.72507 0.90186 1.00000
F4 F 0.27465 0.81633 0.09620 1.00000
获取直接链接