CoCN2
Alexandria ALEXAlex-ID: agm002140232 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_736_spg43
N2 C CoN
2023-03-24 19:28:20.305418
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002140232).
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 agm002140232
data_agm002140232
_cell_length_a 5.71214
_cell_length_b 6.32861
_cell_length_c 5.74204
_cell_angle_alpha 77.02813
_cell_angle_beta 60.17209
_cell_angle_gamma 63.17319
_cell_volume 160.69457
_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 0.42753 0.70986 0.18283 1.00000
C2 C 0.88739 0.79014 0.68283 1.00000
C3 C 0.32021 0.29014 0.81717 1.00000
C4 C 0.36035 0.20986 0.31717 1.00000
Co1 Co 0.87371 0.18748 0.80846 1.00000
Co2 Co 0.81120 0.31252 0.30846 1.00000
Co3 Co 0.43217 0.68748 0.69154 1.00000
Co4 Co 0.86965 0.81252 0.19154 1.00000
N1 N 0.10087 0.24077 0.43211 1.00000
N2 N 0.54861 0.33092 0.70614 1.00000
N3 N 0.77375 0.75923 0.56789 1.00000
N4 N 0.58567 0.66908 0.29386 1.00000
N5 N 0.62953 0.16908 0.20614 1.00000
N6 N 0.28298 0.74077 0.06789 1.00000
N7 N 0.09164 0.25923 0.93211 1.00000
N8 N 0.00475 0.83092 0.79386 1.00000
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