KNF3
Alexandria ALEXAlex-ID: agm005751272 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_8385_spg14
KNF NF3 KF
2023-07-08 02:36:26.314650
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751272).
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 agm005751272
data_agm005751272
_cell_length_a 6.52691
_cell_length_b 7.30451
_cell_length_c 7.27879
_cell_angle_alpha 89.99999
_cell_angle_beta 85.28363
_cell_angle_gamma 90.00002
_cell_volume 345.84714
_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 0.91970 0.59032 0.25324 1.00000
K2 K 0.58030 0.09032 0.24676 1.00000
K3 K 0.08030 0.40968 0.74676 1.00000
K4 K 0.41970 0.90968 0.75324 1.00000
N1 N 0.46686 0.57020 0.03728 1.00000
N2 N 0.03314 0.07020 0.46272 1.00000
N3 N 0.53314 0.42980 0.96272 1.00000
N4 N 0.96686 0.92980 0.53728 1.00000
F1 F 0.14403 0.70325 0.53102 1.00000
F2 F 0.35597 0.20325 0.96898 1.00000
F3 F 0.85597 0.29675 0.46898 1.00000
F4 F 0.64403 0.79675 0.03102 1.00000
F5 F 0.92701 0.95091 0.72230 1.00000
F6 F 0.57299 0.45091 0.77770 1.00000
F7 F 0.07299 0.04909 0.27770 1.00000
F8 F 0.42701 0.54909 0.22230 1.00000
F9 F 0.69598 0.81758 0.47724 1.00000
F10 F 0.80402 0.31758 0.02276 1.00000
F11 F 0.30402 0.18242 0.52276 1.00000
F12 F 0.19598 0.68242 0.97724 1.00000
Get direct link