CN2
Alexandria ALEXAlex-ID: agm005243025 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_2869_spg122
N2 C
2023-04-21 12:36:56.364380
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005243025).
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 agm005243025
data_agm005243025
_cell_length_a 4.89226
_cell_length_b 4.89226
_cell_length_c 4.89226
_cell_angle_alpha 97.08146
_cell_angle_beta 97.08146
_cell_angle_gamma 138.88920
_cell_volume 72.08868
_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 0.12500 0.81812 0.19312 1.00000
C2 C 0.62500 0.93188 0.80688 1.00000
C3 C 0.18188 0.37500 0.30688 1.00000
C4 C 0.06812 0.87500 0.69312 1.00000
N1 N 0.40346 0.28392 0.25805 1.00000
N2 N 0.84654 0.60459 0.38046 1.00000
N3 N 0.02587 0.14541 0.74195 1.00000
N4 N 0.22413 0.46608 0.61954 1.00000
N5 N 0.71608 0.97413 0.11954 1.00000
N6 N 0.53392 0.15346 0.75805 1.00000
N7 N 0.85459 0.59654 0.88046 1.00000
N8 N 0.39541 0.77587 0.24195 1.00000
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