K2SnF6
Alexandria ALEXAlex-ID: agm005583166 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1092_spg14
K2SnF6
2023-07-07 04:08:57.036588
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005583166).
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 agm005583166
data_agm005583166
_cell_length_a 6.30838
_cell_length_b 7.21616
_cell_length_c 7.83442
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 111.24999
_cell_volume 332.39197
_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 0.13305 0.31171 0.54721 1.00000
K2 K 0.36695 0.18829 0.04721 1.00000
K3 K 0.63305 0.81171 0.95279 1.00000
K4 K 0.86695 0.68829 0.45279 1.00000
Sn1 Sn 0.50000 0.00000 0.50000 1.00000
Sn2 Sn 0.00000 0.50000 0.00000 1.00000
F1 F 0.19410 0.78721 0.03263 1.00000
F2 F 0.13516 0.42630 0.20853 1.00000
F3 F 0.24695 0.04018 0.36590 1.00000
F4 F 0.25305 0.45982 0.86590 1.00000
F5 F 0.36484 0.07370 0.70853 1.00000
F6 F 0.30590 0.71279 0.53263 1.00000
F7 F 0.80590 0.21279 0.96737 1.00000
F8 F 0.86484 0.57370 0.79147 1.00000
F9 F 0.75305 0.95982 0.63410 1.00000
F10 F 0.74695 0.54018 0.13410 1.00000
F11 F 0.63516 0.92630 0.29147 1.00000
F12 F 0.69410 0.28721 0.46737 1.00000
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