CsRbF14
Alexandria ALEXAlex-ID: agm005753531 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC14_60_spg74
RbF8 CsF7 CsF5
2023-07-21 03:47:04.327365
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753531).
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 agm005753531
data_agm005753531
_cell_length_a 7.26629
_cell_length_b 9.83162
_cell_length_c 9.83161
_cell_angle_alpha 75.13758
_cell_angle_beta 68.31298
_cell_angle_gamma 68.31289
_cell_volume 600.57096
_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
Cs1 Cs 0.25000 0.34105 0.15895 1.00000
Cs2 Cs 0.75000 0.65895 0.84105 1.00000
Rb1 Rb 0.50000 0.00000 0.50000 1.00000
Rb2 Rb 0.00000 0.00000 0.50000 1.00000
F1 F 0.69798 0.44001 0.16403 1.00000
F2 F 0.30202 0.55999 0.83597 1.00000
F3 F 0.19798 0.66403 0.94001 1.00000
F4 F 0.80202 0.33597 0.05999 1.00000
F5 F 0.12534 0.27283 0.47649 1.00000
F6 F 0.87466 0.72717 0.52351 1.00000
F7 F 0.62534 0.97649 0.77283 1.00000
F8 F 0.37466 0.02351 0.22717 1.00000
F9 F 0.12620 0.95847 0.78913 1.00000
F10 F 0.87380 0.04153 0.21087 1.00000
F11 F 0.62620 0.28913 0.45847 1.00000
F12 F 0.37380 0.71087 0.54153 1.00000
F13 F 0.80058 0.63838 0.25774 1.00000
F14 F 0.69669 0.36163 0.74226 1.00000
F15 F 0.30058 0.75774 0.13837 1.00000
F16 F 0.19669 0.24226 0.86162 1.00000
F17 F 0.19942 0.36162 0.74226 1.00000
F18 F 0.30331 0.63837 0.25774 1.00000
F19 F 0.69942 0.24226 0.86163 1.00000
F20 F 0.80331 0.75774 0.13838 1.00000
F21 F 0.36724 0.94159 0.80971 1.00000
F22 F 0.11854 0.05841 0.19029 1.00000
F23 F 0.86724 0.30971 0.44159 1.00000
F24 F 0.61854 0.69029 0.55841 1.00000
F25 F 0.63276 0.05841 0.19029 1.00000
F26 F 0.88146 0.94159 0.80971 1.00000
F27 F 0.13276 0.69029 0.55841 1.00000
F28 F 0.38146 0.30971 0.44159 1.00000
