RbUSnF7
Alexandria ALEXAlex-ID: agm022472166 · 空间群: Pmna (#53)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD7_10_spg53
RbUF6 Sn SnF2
2024-12-10 20:28:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022472166).
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 agm022472166
data_agm022472166
_cell_length_a 6.52168
_cell_length_b 8.88148
_cell_length_c 13.15369
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 761.89123
_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 0.21147 0.75000 0.25000 1.00000
Rb2 Rb 0.21147 0.25000 0.25000 1.00000
Rb3 Rb 0.78853 0.25000 0.75000 1.00000
Rb4 Rb 0.78853 0.75000 0.75000 1.00000
U1 U 0.25580 0.50000 0.91323 1.00000
U2 U 0.74420 0.50000 0.08677 1.00000
U3 U 0.74420 0.00000 0.41323 1.00000
U4 U 0.25580 0.00000 0.58677 1.00000
Sn1 Sn 0.21677 0.50000 0.59351 1.00000
Sn2 Sn 0.78323 0.50000 0.40649 1.00000
Sn3 Sn 0.78323 0.00000 0.09351 1.00000
Sn4 Sn 0.21677 0.00000 0.90649 1.00000
F1 F 0.50491 0.50000 0.20059 1.00000
F2 F 0.16340 0.24067 0.61331 1.00000
F3 F 0.16340 0.25933 0.88669 1.00000
F4 F 0.87702 0.50000 0.92800 1.00000
F5 F 0.88776 0.50000 0.58159 1.00000
F6 F 0.09362 0.00000 0.74677 1.00000
F7 F 0.90638 0.50000 0.24677 1.00000
F8 F 0.50000 0.14732 0.50000 1.00000
F9 F 0.83660 0.75933 0.38669 1.00000
F10 F 0.16340 0.74067 0.88669 1.00000
F11 F 0.83660 0.74067 0.11331 1.00000
F12 F 0.50000 0.35268 0.00000 1.00000
F13 F 0.12298 0.50000 0.07200 1.00000
F14 F 0.12298 0.00000 0.42800 1.00000
F15 F 0.49509 0.50000 0.79941 1.00000
F16 F 0.49509 0.00000 0.70059 1.00000
F17 F 0.16340 0.75933 0.61331 1.00000
F18 F 0.11224 0.00000 0.08159 1.00000
F19 F 0.11224 0.50000 0.41841 1.00000
F20 F 0.09362 0.50000 0.75323 1.00000
F21 F 0.88776 0.00000 0.91841 1.00000
F22 F 0.90638 0.00000 0.25323 1.00000
F23 F 0.50491 0.00000 0.29941 1.00000
F24 F 0.87702 0.00000 0.57200 1.00000
F25 F 0.50000 0.64732 0.00000 1.00000
F26 F 0.50000 0.85268 0.50000 1.00000
F27 F 0.83660 0.25933 0.11331 1.00000
F28 F 0.83660 0.24067 0.38669 1.00000
