K4SeF8
Alexandria ALEXAlex-ID: agm098001629 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_173_spg12
K2SeF6 KF
2025-06-21 14:57:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098001629).
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 agm098001629
data_agm098001629
_cell_length_a 6.52475
_cell_length_b 7.66890
_cell_length_c 7.10333
_cell_angle_alpha 126.56013
_cell_angle_beta 106.81113
_cell_angle_gamma 85.58920
_cell_volume 271.18436
_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 0.80893 0.66415 0.66125 1.00000
K2 K 0.86291 0.05238 0.56437 1.00000
K3 K 0.26630 0.65901 0.17952 1.00000
K4 K 0.16050 0.35417 0.39151 1.00000
Se1 Se 0.48281 0.03106 0.00811 1.00000
F1 F 0.52891 0.97605 0.70770 1.00000
F2 F 0.79670 0.02975 0.13326 1.00000
F3 F 0.03861 0.41892 0.73444 1.00000
F4 F 0.49863 0.36620 0.23223 1.00000
F5 F 0.44964 0.72245 0.83027 1.00000
F6 F 0.98246 0.65957 0.36836 1.00000
F7 F 0.17161 0.02471 0.91047 1.00000
F8 F 0.45199 0.04158 0.27853 1.00000
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