AlInN2
Alexandria ALEXAlex-ID: agm005646964 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_1272_spg8
InN AlN
2023-07-14 16:29:05.625904
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646964).
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 agm005646964
data_agm005646964
_cell_length_a 3.31656
_cell_length_b 5.75323
_cell_length_c 5.81587
_cell_angle_alpha 80.45670
_cell_angle_beta 89.99755
_cell_angle_gamma 73.24645
_cell_volume 104.65733
_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 0.35983 0.97357 0.24072 1.00000
Al2 Al 0.10102 0.49117 0.47847 1.00000
In1 In 0.60899 0.47541 0.99778 1.00000
In2 In 0.85002 0.99330 0.71949 1.00000
N1 N 0.18485 0.32363 0.21626 1.00000
N2 N 0.92466 0.84389 0.39334 1.00000
N3 N 0.64852 0.39615 0.64223 1.00000
N4 N 0.40929 0.87469 0.94627 1.00000
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