K2SnF5
Alexandria ALEXAlex-ID: agm078212469 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_3093_spg4
K2SnF6 KSnF3 KF
2025-03-13 20:12:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078212469).
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 agm078212469
data_agm078212469
_cell_length_a 6.51995
_cell_length_b 6.30246
_cell_length_c 15.31903
_cell_angle_alpha 90.00000
_cell_angle_beta 90.31473
_cell_angle_gamma 90.00000
_cell_volume 629.47514
_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 0.26104 0.77227 0.85348 1.00000
K2 K 0.25780 0.21305 0.32328 1.00000
K3 K 0.74220 0.71305 0.67672 1.00000
K4 K 0.73896 0.27227 0.14652 1.00000
K5 K 0.23847 0.68142 0.49889 1.00000
K6 K 0.22961 0.24009 0.00779 1.00000
K7 K 0.77039 0.74009 0.99221 1.00000
K8 K 0.76153 0.18142 0.50111 1.00000
Sn1 Sn 0.74007 0.70315 0.36453 1.00000
Sn2 Sn 0.77014 0.27845 0.84528 1.00000
Sn3 Sn 0.22986 0.77845 0.15472 1.00000
Sn4 Sn 0.25993 0.20315 0.63547 1.00000
F1 F 0.49671 0.40180 0.61379 1.00000
F2 F 0.03322 0.52864 0.09746 1.00000
F3 F 0.96678 0.02864 0.90254 1.00000
F4 F 0.50329 0.90180 0.38621 1.00000
F5 F 0.98089 0.50420 0.36282 1.00000
F6 F 0.62256 0.61092 0.83115 1.00000
F7 F 0.37744 0.11092 0.16885 1.00000
F8 F 0.01911 0.00420 0.63718 1.00000
F9 F 0.98986 0.97251 0.11078 1.00000
F10 F 0.44815 0.96212 0.60089 1.00000
F11 F 0.55185 0.46212 0.39911 1.00000
F12 F 0.01014 0.47251 0.88922 1.00000
F13 F 0.91791 0.95863 0.34424 1.00000
F14 F 0.32041 0.14682 0.75964 1.00000
F15 F 0.67959 0.64682 0.24036 1.00000
F16 F 0.08209 0.45863 0.65576 1.00000
F17 F 0.36339 0.79275 0.02922 1.00000
F18 F 0.18887 0.23640 0.50670 1.00000
F19 F 0.81113 0.73640 0.49330 1.00000
F20 F 0.63661 0.29275 0.97078 1.00000
