SbH8N2F5
Alexandria ALEXAlex-ID: agm005231016 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5D8_57_spg11
SbF3 H4NF
2024-10-05 11:22:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005231016).
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 agm005231016
data_agm005231016
_cell_length_a 6.60540
_cell_length_b 6.93457
_cell_length_c 8.23059
_cell_angle_alpha 90.00000
_cell_angle_beta 66.63261
_cell_angle_gamma 90.00000
_cell_volume 346.08502
_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 0.07485 0.75000 0.82174 1.00000
Sb2 Sb 0.92515 0.25000 0.17826 1.00000
H1 H 0.56967 0.75000 0.02154 1.00000
H2 H 0.43033 0.25000 0.97846 1.00000
H3 H 0.59378 0.75000 0.60932 1.00000
H4 H 0.12678 0.25000 0.47502 1.00000
H5 H 0.40622 0.25000 0.39068 1.00000
H6 H 0.87322 0.75000 0.52498 1.00000
H7 H 0.73004 0.62791 0.42220 1.00000
H8 H 0.26996 0.37209 0.57780 1.00000
H9 H 0.73004 0.87209 0.42220 1.00000
H10 H 0.26996 0.12791 0.57780 1.00000
H11 H 0.34012 0.87317 0.15401 1.00000
H12 H 0.34012 0.62683 0.15401 1.00000
H13 H 0.65988 0.12683 0.84599 1.00000
H14 H 0.65988 0.37317 0.84599 1.00000
H15 H 0.49753 0.75000 0.23912 1.00000
H16 H 0.50247 0.25000 0.76088 1.00000
N1 N 0.43731 0.75000 0.14214 1.00000
N2 N 0.56269 0.25000 0.85786 1.00000
N3 N 0.73437 0.75000 0.49497 1.00000
N4 N 0.26563 0.25000 0.50503 1.00000
F1 F 0.11071 0.75000 0.56910 1.00000
F2 F 0.88929 0.25000 0.43090 1.00000
F3 F 0.32143 0.53495 0.71648 1.00000
F4 F 0.17779 0.44922 0.15883 1.00000
F5 F 0.32143 0.96505 0.71648 1.00000
F6 F 0.17779 0.05078 0.15883 1.00000
F7 F 0.67857 0.46505 0.28352 1.00000
F8 F 0.82221 0.55078 0.84117 1.00000
F9 F 0.67857 0.03495 0.28352 1.00000
F10 F 0.82221 0.94922 0.84117 1.00000
