KCSeN
Alexandria ALEXAlex-ID: agm005281882 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD_1449_spg14
K2Se3 KC2N3 C
2023-05-07 02:56:34.799251
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005281882).
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 agm005281882
data_agm005281882
_cell_length_a 7.85313
_cell_length_b 4.58474
_cell_length_c 12.26695
_cell_angle_alpha 81.47903
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 436.79111
_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 0.31805 0.66499 0.09574 1.00000
K2 K 0.68195 0.33501 0.90426 1.00000
K3 K 0.18195 0.66499 0.59574 1.00000
K4 K 0.81805 0.33501 0.40426 1.00000
C1 C 0.21421 0.18526 0.88596 1.00000
C2 C 0.28579 0.18526 0.38596 1.00000
C3 C 0.78579 0.81474 0.11404 1.00000
C4 C 0.71421 0.81474 0.61404 1.00000
Se1 Se 0.54807 0.91019 0.70356 1.00000
Se2 Se 0.04807 0.08981 0.79644 1.00000
Se3 Se 0.95193 0.91019 0.20356 1.00000
Se4 Se 0.45193 0.08981 0.29644 1.00000
N1 N 0.32327 0.24440 0.94606 1.00000
N2 N 0.17673 0.24440 0.44606 1.00000
N3 N 0.82327 0.75560 0.55394 1.00000
N4 N 0.67673 0.75560 0.05394 1.00000
Get direct link