AlVN2
Alexandria ALEXAlex-ID: agm005253632 · Space group: Pna2_1 (#33)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_123_spg33
VN AlN
2023-05-07 07:44:04.191632
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005253632).
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 agm005253632
data_agm005253632
_cell_length_a 5.02284
_cell_length_b 5.55202
_cell_length_c 6.45552
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 180.02471
_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 0.00170 0.58027 0.37524 1.00000
Al2 Al 0.50170 0.41973 0.62476 1.00000
Al3 Al 0.50170 0.91973 0.87524 1.00000
Al4 Al 0.00170 0.08027 0.12476 1.00000
V1 V 0.99335 0.58022 0.87813 1.00000
V2 V 0.49335 0.41978 0.12187 1.00000
V3 V 0.49335 0.91978 0.37813 1.00000
V4 V 0.99335 0.08022 0.62187 1.00000
N1 N 0.38238 0.57757 0.38076 1.00000
N2 N 0.88238 0.42243 0.61924 1.00000
N3 N 0.88238 0.92243 0.88076 1.00000
N4 N 0.38238 0.07757 0.11924 1.00000
N5 N 0.39257 0.59338 0.86390 1.00000
N6 N 0.89257 0.40662 0.13610 1.00000
N7 N 0.89257 0.90662 0.36390 1.00000
N8 N 0.39257 0.09338 0.63610 1.00000
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