SbH2F6
Alexandria ALEXAlex-ID: agm005685256 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2448_spg15
SbH7F12 Sb2F7 SbF4
2023-07-07 08:45:57.604012
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685256).
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 agm005685256
data_agm005685256
_cell_length_a 5.02080
_cell_length_b 8.16110
_cell_length_c 8.16108
_cell_angle_alpha 58.36958
_cell_angle_beta 81.43580
_cell_angle_gamma 81.43580
_cell_volume 280.55387
_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 0.25000 0.15685 0.84315 1.00000
Sb2 Sb 0.75000 0.84315 0.15685 1.00000
H1 H 0.05797 0.70317 0.74045 1.00000
H2 H 0.44203 0.25955 0.29683 1.00000
H3 H 0.94203 0.29683 0.25955 1.00000
H4 H 0.55797 0.74045 0.70317 1.00000
F1 F 0.37780 0.79200 0.66525 1.00000
F2 F 0.12220 0.33475 0.20800 1.00000
F3 F 0.62220 0.20800 0.33475 1.00000
F4 F 0.87780 0.66525 0.79200 1.00000
F5 F 0.88343 0.76631 0.39906 1.00000
F6 F 0.61657 0.60094 0.23369 1.00000
F7 F 0.11657 0.23369 0.60094 1.00000
F8 F 0.38343 0.39906 0.76631 1.00000
F9 F 0.11432 0.85273 0.99606 1.00000
F10 F 0.38568 0.00394 0.14727 1.00000
F11 F 0.88568 0.14727 0.00394 1.00000
F12 F 0.61432 0.99606 0.85273 1.00000
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