Ga2NiN3
Alexandria ALEXAlex-ID: agm005238381 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_42_spg36
Ni3N NiN2 GaN
2023-05-05 07:26:38.270282
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005238381).
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 agm005238381
data_agm005238381
_cell_length_a 5.51253
_cell_length_b 5.51253
_cell_length_c 5.19282
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 119.67471
_cell_volume 137.10396
_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 0.99557 0.33067 0.99422 1.00000
Ga2 Ga 0.33067 0.99557 0.99422 1.00000
Ga3 Ga 0.00443 0.66933 0.49422 1.00000
Ga4 Ga 0.66933 0.00443 0.49422 1.00000
Ni1 Ni 0.64822 0.64822 0.00029 1.00000
Ni2 Ni 0.35178 0.35178 0.50029 1.00000
N1 N 0.00564 0.33377 0.37072 1.00000
N2 N 0.33377 0.00564 0.37072 1.00000
N3 N 0.99436 0.66623 0.87072 1.00000
N4 N 0.66623 0.99436 0.87072 1.00000
N5 N 0.66695 0.66695 0.35782 1.00000
N6 N 0.33305 0.33305 0.85782 1.00000
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