RbSnF3
Alexandria ALEXAlex-ID: agm076863067 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_10744_spg1
RbSnF3
2025-02-19 07:00:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076863067).
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 agm076863067
data_agm076863067
_cell_length_a 6.38999
_cell_length_b 6.89435
_cell_length_c 11.81856
_cell_angle_alpha 86.32955
_cell_angle_beta 92.23099
_cell_angle_gamma 113.61078
_cell_volume 476.04965
_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 0.56543 0.87674 0.17964 1.00000
Rb2 Rb 0.20076 0.19327 0.52152 1.00000
Rb3 Rb 0.29876 0.30489 0.97391 1.00000
Rb4 Rb 0.90804 0.52145 0.32275 1.00000
Sn1 Sn 0.57897 0.96180 0.80876 1.00000
Sn2 Sn 0.53283 0.83140 0.49661 1.00000
Sn3 Sn 0.95999 0.68666 0.99858 1.00000
Sn4 Sn 0.92767 0.52958 0.69584 1.00000
F1 F 0.71265 0.28357 0.85865 1.00000
F2 F 0.79786 0.05002 0.38816 1.00000
F3 F 0.67499 0.52638 0.10865 1.00000
F4 F 0.82428 0.20931 0.65270 1.00000
F5 F 0.31947 0.00912 0.71745 1.00000
F6 F 0.12780 0.57323 0.54297 1.00000
F7 F 0.32360 0.91707 0.38285 1.00000
F8 F 0.01355 0.94004 0.10027 1.00000
F9 F 0.37739 0.91939 0.95997 1.00000
F10 F 0.13060 0.55446 0.11289 1.00000
F11 F 0.21094 0.52519 0.78439 1.00000
F12 F 0.51441 0.58644 0.39343 1.00000
