SbF3
Alexandria ALEXAlex-ID: agm080713766 · 空间群: Pc (#7)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_5005_spg63
SbF3
2025-03-08 16:11:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080713766).
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 agm080713766
data_agm080713766
_cell_length_a 8.17067
_cell_length_b 8.19799
_cell_length_c 5.87995
_cell_angle_alpha 103.23735
_cell_angle_beta 102.98091
_cell_angle_gamma 113.82701
_cell_volume 327.71973
_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
Sb1 Sb 0.87218 0.87357 0.90228 1.00000
Sb2 Sb 0.87324 0.37251 0.40228 1.00000
Sb3 Sb 0.37323 0.87252 0.40223 1.00000
Sb4 Sb 0.37213 0.37348 0.90222 1.00000
F1 F 0.67981 0.86850 0.62034 1.00000
F2 F 0.06915 0.06790 0.82350 1.00000
F3 F 0.36897 0.68044 0.12022 1.00000
F4 F 0.89042 0.67773 0.65368 1.00000
F5 F 0.06855 0.56888 0.32407 1.00000
F6 F 0.39076 0.17809 0.65341 1.00000
F7 F 0.17715 0.89009 0.15366 1.00000
F8 F 0.56864 0.06847 0.32360 1.00000
F9 F 0.18002 0.36867 0.62022 1.00000
F10 F 0.67701 0.38995 0.15380 1.00000
F11 F 0.86939 0.18089 0.12009 1.00000
F12 F 0.56936 0.56830 0.82440 1.00000
获取直接链接