RbH2RuF8
Alexandria ALEXAlex-ID: agm004909280 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_645_spg2
RbRuF6 HF
2023-01-01 22:27:37.303056
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909280).
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
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# CIF generated by HEAS from Alexandria entry agm004909280
data_agm004909280
_cell_length_a 5.13684
_cell_length_b 5.06070
_cell_length_c 7.96001
_cell_angle_alpha 80.96296
_cell_angle_beta 80.09633
_cell_angle_gamma 68.88177
_cell_volume 189.13300
_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
Rb1 Rb 0.00000 0.00000 0.50000 1.00000
H1 H 0.31443 0.29708 0.73868 1.00000
H2 H 0.68557 0.70292 0.26132 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
F1 F 0.22149 0.76352 0.16960 1.00000
F2 F 0.76033 0.77673 0.05594 1.00000
F3 F 0.77930 0.23067 0.17424 1.00000
F4 F 0.77851 0.23648 0.83040 1.00000
F5 F 0.23967 0.22327 0.94406 1.00000
F6 F 0.22070 0.76933 0.82576 1.00000
F7 F 0.66645 0.69029 0.38518 1.00000
F8 F 0.33355 0.30971 0.61482 1.00000
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