KC2N3
Alexandria ALEXAlex-ID: agm005281758 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1663_spg14
KC2N3
2022-12-13 05:09:07.542187
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005281758).
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 agm005281758
data_agm005281758
_cell_length_a 16.26586
_cell_length_b 4.07661
_cell_length_c 7.52231
_cell_angle_alpha 71.11914
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 471.96309
_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 0.90766 0.38026 0.33861 1.00000
K2 K 0.59234 0.38026 0.83861 1.00000
K3 K 0.40766 0.61974 0.16139 1.00000
K4 K 0.09234 0.61974 0.66139 1.00000
C1 C 0.77966 0.83799 0.92552 1.00000
C2 C 0.22034 0.16201 0.07448 1.00000
C3 C 0.41383 0.03349 0.67249 1.00000
C4 C 0.91383 0.96651 0.82751 1.00000
C5 C 0.27966 0.16201 0.57448 1.00000
C6 C 0.08617 0.03349 0.17249 1.00000
C7 C 0.58617 0.96651 0.32751 1.00000
C8 C 0.72034 0.83799 0.42552 1.00000
N1 N 0.46960 0.91354 0.77413 1.00000
N2 N 0.29290 0.16563 0.08145 1.00000
N3 N 0.14121 0.17906 0.04716 1.00000
N4 N 0.96960 0.08646 0.72587 1.00000
N5 N 0.70710 0.83437 0.91855 1.00000
N6 N 0.20710 0.16563 0.58145 1.00000
N7 N 0.79290 0.83437 0.41855 1.00000
N8 N 0.03040 0.91354 0.27413 1.00000
N9 N 0.85879 0.82094 0.95284 1.00000
N10 N 0.64121 0.82094 0.45284 1.00000
N11 N 0.35879 0.17906 0.54716 1.00000
N12 N 0.53040 0.08646 0.22587 1.00000
