K4ZnF8
Alexandria ALEXAlex-ID: agm097444701 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_625_spg22
K3ZnF6 KF3 KF
2025-06-21 15:20:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097444701).
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 agm097444701
data_agm097444701
_cell_length_a 5.88621
_cell_length_b 7.75935
_cell_length_c 7.31543
_cell_angle_alpha 58.11545
_cell_angle_beta 73.15665
_cell_angle_gamma 92.51398
_cell_volume 263.44293
_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 0.03030 0.25404 0.76332 1.00000
K2 K 0.36851 0.34408 0.14576 1.00000
K3 K 0.79836 0.62657 0.31540 1.00000
K4 K 0.70195 0.93290 0.54043 1.00000
Zn1 Zn 0.41322 0.91916 0.06159 1.00000
F1 F 0.12153 0.98991 0.17929 1.00000
F2 F 0.28165 0.61375 0.28106 1.00000
F3 F 0.42868 0.54342 0.70077 1.00000
F4 F 0.36161 0.03503 0.77181 1.00000
F5 F 0.59282 0.04605 0.16602 1.00000
F6 F 0.93335 0.29189 0.40216 1.00000
F7 F 0.75218 0.53601 0.74009 1.00000
F8 F 0.71585 0.86719 0.93230 1.00000
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