AlN
Alexandria ALEXAlex-ID: agm071056829 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_11623_spg2
AlN
2024-10-22 18:33:20.523766
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071056829).
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 agm071056829
data_agm071056829
_cell_length_a 5.51725
_cell_length_b 7.61045
_cell_length_c 7.60892
_cell_angle_alpha 95.00881
_cell_angle_beta 104.49491
_cell_angle_gamma 94.01524
_cell_volume 306.73747
_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
Al1 Al 0.28252 0.90145 0.42552 1.00000
Al2 Al 0.80844 0.74743 0.35254 1.00000
Al3 Al 0.19156 0.25257 0.64746 1.00000
Al4 Al 0.71748 0.09855 0.57448 1.00000
Al5 Al 0.22624 0.95323 0.77463 1.00000
Al6 Al 0.10707 0.68510 0.07081 1.00000
Al7 Al 0.89293 0.31490 0.92919 1.00000
Al8 Al 0.77376 0.04677 0.22537 1.00000
Al9 Al 0.42002 0.36945 0.06724 1.00000
Al10 Al 0.10714 0.61192 0.73802 1.00000
Al11 Al 0.89286 0.38808 0.26198 1.00000
Al12 Al 0.57998 0.63055 0.93276 1.00000
N1 N 0.40197 0.07891 0.62717 1.00000
N2 N 0.99175 0.12705 0.78584 1.00000
N3 N 0.00825 0.87295 0.21416 1.00000
N4 N 0.59803 0.92109 0.37283 1.00000
N5 N 0.90998 0.24418 0.44497 1.00000
N6 N 0.66844 0.55816 0.18603 1.00000
N7 N 0.33156 0.44184 0.81397 1.00000
N8 N 0.09002 0.75582 0.55503 1.00000
N9 N 0.85458 0.56738 0.85389 1.00000
N10 N 0.67149 0.21303 0.06567 1.00000
N11 N 0.32851 0.78697 0.93433 1.00000
N12 N 0.14542 0.43262 0.14611 1.00000
