BCN5
Alexandria ALEXAlex-ID: agm002094751 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_142_spg1
N2 C BN
2021-09-26 14:18:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002094751).
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 agm002094751
data_agm002094751
_cell_length_a 4.70408
_cell_length_b 5.28111
_cell_length_c 5.32529
_cell_angle_alpha 86.11333
_cell_angle_beta 89.80999
_cell_angle_gamma 65.42163
_cell_volume 119.98638
_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 0.33712 0.24853 0.30047 1.00000
C2 C 0.64221 0.42885 0.72057 1.00000
B1 B 0.09809 0.53799 0.87148 1.00000
B2 B 0.55851 0.96133 0.70353 1.00000
N1 N 0.76594 0.61056 0.76249 1.00000
N2 N 0.11761 0.76513 0.27832 1.00000
N3 N 0.03592 0.02337 0.92718 1.00000
N4 N 0.77230 0.14497 0.76219 1.00000
N5 N 0.24506 0.52163 0.40269 1.00000
N6 N 0.31800 0.53404 0.65140 1.00000
N7 N 0.30938 0.05276 0.91390 1.00000
N8 N 0.26947 0.28505 0.04598 1.00000
N9 N 0.06431 0.77360 0.04016 1.00000
N10 N 0.46449 0.02080 0.43487 1.00000
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