BC2N
Alexandria ALEXAlex-ID: agm005493311 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7532_spg5
C BN
2023-03-18 08:39:32.322113
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005493311).
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
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# CIF generated by HEAS from Alexandria entry agm005493311
data_agm005493311
_cell_length_a 3.71926
_cell_length_b 3.71926
_cell_length_c 3.73803
_cell_angle_alpha 86.03084
_cell_angle_beta 86.03084
_cell_angle_gamma 86.01612
_cell_volume 51.35114
_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 0.24341 0.50202 0.13886 1.00000
B2 B 0.49798 0.75659 0.86114 1.00000
C1 C 0.49500 0.24176 0.38436 1.00000
C2 C 0.99988 0.23937 0.85710 1.00000
C3 C 0.76063 0.00012 0.14290 1.00000
C4 C 0.75824 0.50500 0.61564 1.00000
N1 N 0.95024 0.70632 0.33275 1.00000
N2 N 0.29368 0.04976 0.66725 1.00000
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