GaN
Alexandria ALEXAlex-ID: agm070906086 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_11346_spg212
GaN
2024-10-15 08:44:37.586128
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070906086).
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 agm070906086
data_agm070906086
_cell_length_a 7.94234
_cell_length_b 7.94234
_cell_length_c 7.94234
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 501.00968
_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
Ga1 Ga 0.62500 0.10368 0.14632 1.00000
Ga2 Ga 0.87500 0.89632 0.64632 1.00000
Ga3 Ga 0.37500 0.60368 0.35368 1.00000
Ga4 Ga 0.12500 0.39632 0.85368 1.00000
Ga5 Ga 0.14632 0.62500 0.10368 1.00000
Ga6 Ga 0.64632 0.87500 0.89632 1.00000
Ga7 Ga 0.35368 0.37500 0.60368 1.00000
Ga8 Ga 0.85368 0.12500 0.39632 1.00000
Ga9 Ga 0.10368 0.14632 0.62500 1.00000
Ga10 Ga 0.89632 0.64632 0.87500 1.00000
Ga11 Ga 0.60368 0.35368 0.37500 1.00000
Ga12 Ga 0.39632 0.85368 0.12500 1.00000
N1 N 0.62500 0.44743 0.80257 1.00000
N2 N 0.87500 0.55257 0.30257 1.00000
N3 N 0.37500 0.94743 0.69743 1.00000
N4 N 0.12500 0.05257 0.19743 1.00000
N5 N 0.80257 0.62500 0.44743 1.00000
N6 N 0.30257 0.87500 0.55257 1.00000
N7 N 0.69743 0.37500 0.94743 1.00000
N8 N 0.19743 0.12500 0.05257 1.00000
N9 N 0.44743 0.80257 0.62500 1.00000
N10 N 0.55257 0.30257 0.87500 1.00000
N11 N 0.94743 0.69743 0.37500 1.00000
N12 N 0.05257 0.19743 0.12500 1.00000
