KSO3F
Alexandria ALEXAlex-ID: agm002228516 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_99_spg12
KSO3F
2018-07-20 19:14:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002228516).
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 agm002228516
data_agm002228516
_cell_length_a 4.94827
_cell_length_b 6.77052
_cell_length_c 6.77052
_cell_angle_alpha 85.02748
_cell_angle_beta 76.84562
_cell_angle_gamma 76.84562
_cell_volume 214.93499
_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
K1 K 0.00000 0.74793 0.25207 1.00000
K2 K 1.00000 0.25207 0.74793 1.00000
S1 S 0.63346 0.27360 0.27360 1.00000
S2 S 0.36654 0.72640 0.72640 1.00000
O1 O 0.30392 0.53095 0.80149 1.00000
O2 O 0.69608 0.19851 0.46905 1.00000
O3 O 0.29896 0.87890 0.87890 1.00000
O4 O 0.70104 0.12110 0.12110 1.00000
O5 O 0.30392 0.80149 0.53095 1.00000
O6 O 0.69608 0.46905 0.19851 1.00000
F1 F 0.27952 0.32737 0.32737 1.00000
F2 F 0.72048 0.67263 0.67263 1.00000
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