SbF3
Alexandria ALEXAlex-ID: agm078077987 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_5549_spg9
SbF3
2025-01-09 09:57:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078077987).
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}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm078077987
data_agm078077987
_cell_length_a 8.52062
_cell_length_b 8.52062
_cell_length_c 8.87145
_cell_angle_alpha 58.29499
_cell_angle_beta 121.70501
_cell_angle_gamma 147.70273
_cell_volume 288.05879
_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 0.02800 0.09786 0.95830 1.00000
Sb2 Sb 0.90214 0.97200 0.45830 1.00000
Sb3 Sb 0.51103 0.08082 0.48787 1.00000
Sb4 Sb 0.91918 0.48897 0.98787 1.00000
F1 F 0.63444 0.86863 0.79038 1.00000
F2 F 0.11039 0.65834 0.48044 1.00000
F3 F 0.34166 0.88961 0.98044 1.00000
F4 F 0.13137 0.36556 0.29038 1.00000
F5 F 0.62748 0.01732 0.39775 1.00000
F6 F 0.25863 0.10313 0.50407 1.00000
F7 F 0.89687 0.74137 0.00407 1.00000
F8 F 0.98268 0.37252 0.89775 1.00000
F9 F 0.81278 0.59356 0.72624 1.00000
F10 F 0.40644 0.18722 0.22624 1.00000
F11 F 0.82215 0.88348 0.15380 1.00000
F12 F 0.11652 0.17785 0.65380 1.00000
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