BH6N
Alexandria ALEXAlex-ID: agm003232011 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_192_spg1
BH6N
2021-12-10 21:35:56.065973
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003232011).
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 agm003232011
data_agm003232011
_cell_length_a 4.40803
_cell_length_b 4.84919
_cell_length_c 10.54982
_cell_angle_alpha 101.23631
_cell_angle_beta 92.02323
_cell_angle_gamma 110.80830
_cell_volume 205.40878
_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 0.41421 0.25064 0.65721 1.00000
B2 B 0.74752 0.58423 0.32373 1.00000
B3 B 0.07949 0.91782 0.99030 1.00000
H1 H 0.18786 0.79308 0.90049 1.00000
H2 H 0.62859 0.51838 0.92521 1.00000
H3 H 0.59848 0.31736 0.75753 1.00000
H4 H 0.52262 0.12657 0.56718 1.00000
H5 H 0.89919 0.11423 0.69880 1.00000
H6 H 0.08293 0.90480 0.74894 1.00000
H7 H 0.96329 0.85154 0.59156 1.00000
H8 H 0.93233 0.65111 0.42395 1.00000
H9 H 0.26399 0.98549 0.09065 1.00000
H10 H 0.04474 0.14102 0.96569 1.00000
H11 H 0.85549 0.45989 0.23364 1.00000
H12 H 0.23301 0.44833 0.36591 1.00000
H13 H 0.41689 0.23868 0.41581 1.00000
H14 H 0.29627 0.18539 0.25850 1.00000
H15 H 0.37969 0.47427 0.63301 1.00000
H16 H 0.56460 0.78171 0.03211 1.00000
H17 H 0.74886 0.57298 0.08263 1.00000
H18 H 0.71268 0.80778 0.29956 1.00000
N1 N 0.06630 0.01361 0.67582 1.00000
N2 N 0.39981 0.34744 0.34272 1.00000
N3 N 0.73177 0.68106 0.00929 1.00000
