SbF3
Alexandria ALEXAlex-ID: agm080213692 · 空间群: I4cm (#108)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_320_spg204
SbF3
2025-02-26 06:43:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080213692).
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 agm080213692
data_agm080213692
_cell_length_a 7.59540
_cell_length_b 7.60317
_cell_length_c 7.60426
_cell_angle_alpha 108.15569
_cell_angle_beta 108.26900
_cell_angle_gamma 111.98902
_cell_volume 337.67783
_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 0.01803 0.95525 0.43613 1.00000
Sb2 Sb 0.58148 0.51934 0.56389 1.00000
Sb3 Sb 0.08159 0.45525 0.99985 1.00000
Sb4 Sb 0.51788 0.01949 0.00012 1.00000
F1 F 0.33270 0.66454 0.99288 1.00000
F2 F 0.84020 0.77029 0.60660 1.00000
F3 F 0.27573 0.99720 0.66072 1.00000
F4 F 0.39904 0.55215 0.33896 1.00000
F5 F 0.05521 0.20589 0.66373 1.00000
F6 F 0.56405 0.83831 0.78851 1.00000
F7 F 0.76835 0.04453 0.21716 1.00000
F8 F 0.88933 0.48831 0.78268 1.00000
F9 F 0.11122 0.71228 0.21154 1.00000
F10 F 0.60451 0.32853 0.33652 1.00000
F11 F 0.22659 0.17082 0.39326 1.00000
F12 F 0.73406 0.27782 0.00746 1.00000
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