HgRu2F8
Alexandria ALEXAlex-ID: agm005996275 · 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
AB2C8_1441_spg71
RuF4 RuF3 Hg2RuF6
2023-10-17 07:03:52.978497
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005996275).
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 agm005996275
data_agm005996275
_cell_length_a 3.97955
_cell_length_b 6.53134
_cell_length_c 8.26357
_cell_angle_alpha 129.51372
_cell_angle_beta 89.90237
_cell_angle_gamma 105.26571
_cell_volume 155.83554
_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 0.11410 0.24058 0.62053 1.00000
Ru2 Ru 0.88590 0.75942 0.37945 1.00000
Hg1 Hg 0.00000 0.00000 0.99999 1.00000
F1 F 0.36493 0.71043 0.35512 1.00000
F2 F 0.63507 0.28957 0.64484 1.00000
F3 F 0.86130 0.72285 0.13052 1.00000
F4 F 0.13825 0.27538 0.40723 1.00000
F5 F 0.31719 0.71358 0.85711 1.00000
F6 F 0.13869 0.27716 0.86947 1.00000
F7 F 0.86175 0.72462 0.59275 1.00000
F8 F 0.68281 0.28642 0.14289 1.00000
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