SbF3
Alexandria ALEXAlex-ID: agm083857331 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_1291_spg62
SbF3
2025-03-01 01:56:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm083857331).
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 agm083857331
data_agm083857331
_cell_length_a 5.41074
_cell_length_b 7.79079
_cell_length_c 8.75844
_cell_angle_alpha 90.00000
_cell_angle_beta 128.00600
_cell_angle_gamma 90.00000
_cell_volume 290.91171
_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 0.10044 0.21559 0.24950 1.00000
Sb2 Sb 0.10044 0.28441 0.74950 1.00000
Sb3 Sb 0.89956 0.78441 0.75050 1.00000
Sb4 Sb 0.89956 0.71559 0.25050 1.00000
F1 F 0.78109 0.95526 0.25339 1.00000
F2 F 0.21891 0.04474 0.74661 1.00000
F3 F 0.04946 0.20099 0.94553 1.00000
F4 F 0.34363 0.70529 0.94693 1.00000
F5 F 0.65637 0.20529 0.55307 1.00000
F6 F 0.95054 0.70099 0.55447 1.00000
F7 F 0.21891 0.45526 0.24661 1.00000
F8 F 0.78109 0.54474 0.75339 1.00000
F9 F 0.34363 0.79471 0.44693 1.00000
F10 F 0.04946 0.29901 0.44553 1.00000
F11 F 0.65637 0.29471 0.05307 1.00000
F12 F 0.95054 0.79901 0.05447 1.00000
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