KH2N
Alexandria ALEXAlex-ID: agm005690634 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_8959_spg74
KH2N
2023-07-10 17:49:22.285217
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690634).
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 agm005690634
data_agm005690634
_cell_length_a 7.90280
_cell_length_b 3.66876
_cell_length_c 11.13014
_cell_angle_alpha 90.05823
_cell_angle_beta 89.97124
_cell_angle_gamma 89.99967
_cell_volume 322.70121
_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 0.75002 0.24999 0.75092 1.00000
K2 K 0.24998 0.75001 0.24908 1.00000
K3 K 0.25002 0.25004 0.74913 1.00000
K4 K 0.74998 0.74996 0.25087 1.00000
H1 H 0.50092 0.03556 0.10199 1.00000
H2 H 0.49908 0.96445 0.89801 1.00000
H3 H 0.00069 0.46439 0.39797 1.00000
H4 H 0.99930 0.53561 0.60203 1.00000
H5 H 0.49867 0.53660 0.89803 1.00000
H6 H 0.50133 0.46340 0.10197 1.00000
H7 H 0.99883 0.96339 0.60201 1.00000
H8 H 0.00117 0.03661 0.39799 1.00000
N1 N 0.00044 0.25029 0.33769 1.00000
N2 N 0.99956 0.74971 0.66231 1.00000
N3 N 0.50057 0.24969 0.16226 1.00000
N4 N 0.49943 0.75031 0.83774 1.00000
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