CsKSn2F6
Alexandria ALEXAlex-ID: agm004977181 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_784_spg15
KSnF3 CsSnF3
2022-07-23 04:48:34.485055
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004977181).
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 agm004977181
data_agm004977181
_cell_length_a 8.88524
_cell_length_b 8.67659
_cell_length_c 8.67659
_cell_angle_alpha 58.62939
_cell_angle_beta 57.43874
_cell_angle_gamma 57.43874
_cell_volume 449.34698
_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
Cs1 Cs 0.25000 0.81154 0.18846 1.00000
Cs2 Cs 0.75000 0.18846 0.81154 1.00000
K1 K 0.25000 0.29541 0.70459 1.00000
K2 K 0.75000 0.70459 0.29541 1.00000
Sn1 Sn 0.21893 0.76573 0.72786 1.00000
Sn2 Sn 0.28107 0.27214 0.23427 1.00000
Sn3 Sn 0.78107 0.23427 0.27214 1.00000
Sn4 Sn 0.71893 0.72786 0.76573 1.00000
F1 F 0.23324 0.96791 0.77953 1.00000
F2 F 0.26676 0.22047 0.03209 1.00000
F3 F 0.76676 0.03209 0.22047 1.00000
F4 F 0.73324 0.77953 0.96791 1.00000
F5 F 0.32963 0.94503 0.39849 1.00000
F6 F 0.17037 0.60151 0.05497 1.00000
F7 F 0.67037 0.05497 0.60151 1.00000
F8 F 0.82963 0.39849 0.94503 1.00000
F9 F 0.00793 0.66210 0.58971 1.00000
F10 F 0.49207 0.41029 0.33790 1.00000
F11 F 0.99207 0.33790 0.41029 1.00000
F12 F 0.50793 0.58971 0.66210 1.00000
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