K4O3F4
Alexandria ALEXAlex-ID: agm005708517 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_195_spg187
KOF KF
2023-06-29 23:13:43.745798
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708517).
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 agm005708517
data_agm005708517
_cell_length_a 5.06114
_cell_length_b 4.61163
_cell_length_c 10.45264
_cell_angle_alpha 90.00002
_cell_angle_beta 90.00000
_cell_angle_gamma 117.34336
_cell_volume 216.70701
_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 0.67136 0.35235 0.74938 1.00000
K2 K 0.67136 0.35235 0.25062 1.00000
K3 K 0.03259 0.03333 0.50000 1.00000
K4 K 0.02657 0.03124 1.00000 1.00000
O1 O 0.29052 0.66442 0.10677 1.00000
O2 O 0.29052 0.66442 0.89323 1.00000
O3 O 0.44057 0.74047 0.00000 1.00000
F1 F 0.68309 0.35693 0.50000 1.00000
F2 F 0.64005 0.34065 1.00000 1.00000
F3 F 0.02593 0.03041 0.74716 1.00000
F4 F 0.02593 0.03041 0.25284 1.00000
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