BN
Alexandria ALEXAlex-ID: agm071146751 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_11355_spg1
BN
2024-08-07 16:09:42.204753
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071146751).
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 agm071146751
data_agm071146751
_cell_length_a 5.06039
_cell_length_b 6.22831
_cell_length_c 6.80636
_cell_angle_alpha 93.24894
_cell_angle_beta 86.98524
_cell_angle_gamma 98.91074
_cell_volume 211.38203
_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 0.60483 0.23698 0.92178 1.00000
B2 B 0.43802 0.76893 0.40421 1.00000
B3 B 0.17900 0.27307 0.61834 1.00000
B4 B 0.06763 0.91004 0.03965 1.00000
B5 B 0.01419 0.89233 0.78983 1.00000
B6 B 0.38529 0.34354 0.08273 1.00000
B7 B 0.89542 0.30897 0.30055 1.00000
B8 B 0.71195 0.78504 0.53147 1.00000
B9 B 0.60016 0.95650 0.22987 1.00000
B10 B 0.25903 0.76297 0.16613 1.00000
B11 B 0.08768 0.46638 0.80214 1.00000
B12 B 0.30916 0.06799 0.70945 1.00000
N1 N 0.85684 0.36135 0.93517 1.00000
N2 N 0.16880 0.73603 0.38142 1.00000
N3 N 0.13971 0.28263 0.40929 1.00000
N4 N 0.83437 0.92777 0.13084 1.00000
N5 N 0.05411 0.67458 0.70383 1.00000
N6 N 0.37831 0.27853 0.27761 1.00000
N7 N 0.95565 0.42319 0.11794 1.00000
N8 N 0.75557 0.93476 0.69886 1.00000
N9 N 0.60516 0.18439 0.32859 1.00000
N10 N 0.22510 0.52122 0.04038 1.00000
N11 N 0.94866 0.65731 0.51056 1.00000
N12 N 0.57165 0.06325 0.76873 1.00000
