Y3GaN
Alexandria ALEXAlex-ID: agm003106325 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_2448_spg12
Y3GaN
2016-02-11 23:31:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003106325).
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
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# CIF generated by HEAS from Alexandria entry agm003106325
data_agm003106325
_cell_length_a 22.67921
_cell_length_b 8.93132
_cell_length_c 8.93132
_cell_angle_alpha 148.48251
_cell_angle_beta 158.83394
_cell_angle_gamma 21.16606
_cell_volume 233.80756
_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
Y1 Y 0.05047 0.02790 0.97210 1.00000
Y2 Y 0.94953 0.97210 0.02790 1.00000
Y3 Y 0.80590 0.53068 0.46932 1.00000
Y4 Y 0.19410 0.46932 0.53068 1.00000
Y5 Y 0.44273 0.75361 0.24639 1.00000
Y6 Y 0.55727 0.24639 0.75361 1.00000
Ga1 Ga 0.75780 0.81866 0.18134 1.00000
Ga2 Ga 0.24220 0.18134 0.81866 1.00000
N1 N 0.82703 0.00263 0.99737 1.00000
N2 N 0.17297 0.99737 0.00263 1.00000
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