RbSiF5
Alexandria ALEXAlex-ID: agm005753486 · 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_421_spg15
Rb2SiF6 SiF4
2023-07-14 05:10:28.508604
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753486).
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 agm005753486
data_agm005753486
_cell_length_a 5.92970
_cell_length_b 5.92970
_cell_length_c 8.00870
_cell_angle_alpha 95.05001
_cell_angle_beta 118.54513
_cell_angle_gamma 103.63430
_cell_volume 233.65985
_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 0.72646 0.47646 0.25000 1.00000
Rb2 Rb 0.27354 0.52354 0.75000 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Si2 Si 0.50000 0.00000 0.50000 1.00000
F1 F 0.84335 0.11492 0.09398 1.00000
F2 F 0.22193 0.84069 0.49660 1.00000
F3 F 0.47906 0.25063 0.59398 1.00000
F4 F 0.29005 0.04005 0.25000 1.00000
F5 F 0.84409 0.72534 0.00340 1.00000
F6 F 0.15591 0.27466 0.99660 1.00000
F7 F 0.70995 0.95995 0.75000 1.00000
F8 F 0.52094 0.74937 0.40602 1.00000
F9 F 0.77807 0.15931 0.50340 1.00000
F10 F 0.15665 0.88508 0.90602 1.00000
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