SrRuF5
Alexandria ALEXAlex-ID: agm005753546 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC5_459_spg15
SrRuF6 Ru SrF2
2023-07-14 04:57:31.755131
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753546).
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 agm005753546
data_agm005753546
_cell_length_a 5.90803
_cell_length_b 5.90803
_cell_length_c 8.16758
_cell_angle_alpha 95.74713
_cell_angle_beta 113.41060
_cell_angle_gamma 108.19726
_cell_volume 240.17457
_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
Sr1 Sr 0.70590 0.45590 0.25000 1.00000
Sr2 Sr 0.29410 0.54410 0.75000 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Ru2 Ru 0.50000 0.00000 0.50000 1.00000
F1 F 0.86887 0.20554 0.11606 1.00000
F2 F 0.16977 0.72043 0.47236 1.00000
F3 F 0.41052 0.24719 0.61606 1.00000
F4 F 0.33161 0.08161 0.25000 1.00000
F5 F 0.74807 0.69741 0.02764 1.00000
F6 F 0.25193 0.30259 0.97236 1.00000
F7 F 0.66839 0.91839 0.75000 1.00000
F8 F 0.58948 0.75281 0.38394 1.00000
F9 F 0.83023 0.27957 0.52764 1.00000
F10 F 0.13113 0.79446 0.88394 1.00000
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