KHN
Alexandria ALEXAlex-ID: agm005704608 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_8758_spg14
KH2N K KN3
2023-06-17 18:02:00.676985
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704608).
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 agm005704608
data_agm005704608
_cell_length_a 3.91811
_cell_length_b 7.79429
_cell_length_c 10.36082
_cell_angle_alpha 104.13655
_cell_angle_beta 89.99999
_cell_angle_gamma 90.00002
_cell_volume 306.82534
_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 0.74805 0.42165 0.64339 1.00000
K2 K 0.24805 0.07835 0.35661 1.00000
K3 K 0.25195 0.57835 0.35661 1.00000
K4 K 0.75195 0.92165 0.64339 1.00000
H1 H 0.75013 0.32969 0.36022 1.00000
H2 H 0.25013 0.17031 0.63978 1.00000
H3 H 0.24987 0.67031 0.63978 1.00000
H4 H 0.74987 0.82969 0.36022 1.00000
N1 N 0.55806 0.99095 0.94968 1.00000
N2 N 0.05806 0.50905 0.05032 1.00000
N3 N 0.44194 0.00905 0.05032 1.00000
N4 N 0.94194 0.49095 0.94968 1.00000
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