NaC2N3
Alexandria ALEXAlex-ID: agm005230438 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_600_spg14
Na2CN2 NaN4 C
2022-12-12 22:05:31.542191
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005230438).
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 agm005230438
data_agm005230438
_cell_length_a 15.15763
_cell_length_b 3.65565
_cell_length_c 7.43920
_cell_angle_alpha 62.14291
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 364.44431
_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
Na1 Na 0.91212 0.38610 0.35894 1.00000
Na2 Na 0.08788 0.61390 0.64106 1.00000
Na3 Na 0.41212 0.61390 0.14106 1.00000
Na4 Na 0.58788 0.38610 0.85894 1.00000
C1 C 0.08274 0.08736 0.16095 1.00000
C2 C 0.22741 0.20093 0.05356 1.00000
C3 C 0.41726 0.08736 0.66095 1.00000
C4 C 0.91726 0.91264 0.83905 1.00000
C5 C 0.77259 0.79907 0.94644 1.00000
C6 C 0.27259 0.20093 0.55356 1.00000
C7 C 0.58274 0.91264 0.33905 1.00000
C8 C 0.72741 0.79907 0.44644 1.00000
N1 N 0.02211 0.96414 0.27425 1.00000
N2 N 0.30522 0.18663 0.06374 1.00000
N3 N 0.64281 0.76062 0.47848 1.00000
N4 N 0.80522 0.81337 0.43626 1.00000
N5 N 0.97789 0.03586 0.72575 1.00000
N6 N 0.19478 0.18663 0.56374 1.00000
N7 N 0.69478 0.81337 0.93626 1.00000
N8 N 0.35719 0.23938 0.52152 1.00000
N9 N 0.14281 0.23938 0.02152 1.00000
N10 N 0.47789 0.96414 0.77425 1.00000
N11 N 0.85719 0.76062 0.97848 1.00000
N12 N 0.52211 0.03586 0.22575 1.00000
