BC2N
Alexandria ALEXAlex-ID: agm005498939 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7533_spg12
C BN
2023-03-18 08:39:30.863127
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005498939).
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 agm005498939
data_agm005498939
_cell_length_a 3.63868
_cell_length_b 3.63868
_cell_length_c 4.18571
_cell_angle_alpha 78.13169
_cell_angle_beta 78.13169
_cell_angle_gamma 89.78750
_cell_volume 53.03161
_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
B1 B 0.69945 0.69945 0.66233 1.00000
B2 B 0.30055 0.30055 0.33767 1.00000
C1 C 0.60700 0.09174 0.11526 1.00000
C2 C 0.39300 0.90826 0.88474 1.00000
C3 C 0.09174 0.60700 0.11526 1.00000
C4 C 0.90826 0.39300 0.88474 1.00000
N1 N 0.20563 0.20563 0.69121 1.00000
N2 N 0.79437 0.79437 0.30879 1.00000
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