C3N
Alexandria ALEXAlex-ID: agm005230034 · Space group: P2_12_12_1 (#19)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_1571_spg19
N2 C
2023-05-07 01:30:46.457626
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005230034).
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 agm005230034
data_agm005230034
_cell_length_a 3.74266
_cell_length_b 6.54243
_cell_length_c 7.70035
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 188.55153
_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
C1 C 0.26739 0.65447 0.24934 1.00000
C2 C 0.23261 0.34553 0.74934 1.00000
C3 C 0.76739 0.84553 0.75066 1.00000
C4 C 0.73261 0.15447 0.25066 1.00000
C5 C 0.95342 0.76785 0.24398 1.00000
C6 C 0.54658 0.23215 0.74398 1.00000
C7 C 0.45342 0.73215 0.75602 1.00000
C8 C 0.04658 0.26785 0.25602 1.00000
C9 C 0.75952 0.94179 0.25196 1.00000
C10 C 0.74048 0.05821 0.75196 1.00000
C11 C 0.25952 0.55821 0.74804 1.00000
C12 C 0.24048 0.44179 0.24804 1.00000
N1 N 0.58217 0.75455 0.30013 1.00000
N2 N 0.91783 0.24545 0.80013 1.00000
N3 N 0.08217 0.74545 0.69987 1.00000
N4 N 0.41783 0.25455 0.19987 1.00000
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