KInSn2F8
Alexandria ALEXAlex-ID: agm004909810 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_538_spg2
KIn2F7 KSn2F5 SnF2
2022-12-20 09:27:47.553159
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909810).
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 agm004909810
data_agm004909810
_cell_length_a 4.31423
_cell_length_b 5.98929
_cell_length_c 8.15966
_cell_angle_alpha 95.11512
_cell_angle_beta 93.89998
_cell_angle_gamma 93.86428
_cell_volume 208.93966
_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 0.00000 0.50000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.51100 0.53127 0.75065 1.00000
Sn2 Sn 0.48900 0.46873 0.24935 1.00000
F1 F 0.05903 0.80765 0.19348 1.00000
F2 F 0.55106 0.80176 0.95874 1.00000
F3 F 0.98610 0.28589 0.20920 1.00000
F4 F 0.94097 0.19235 0.80652 1.00000
F5 F 0.44894 0.19824 0.04126 1.00000
F6 F 0.01390 0.71411 0.79080 1.00000
F7 F 0.48738 0.73707 0.55225 1.00000
F8 F 0.51262 0.26293 0.44775 1.00000
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