Y2UN3
Alexandria ALEXAlex-ID: agm005644182 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_663_spg1
Y5UN6 UN
2023-08-29 18:14:44.976129
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644182).
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 agm005644182
data_agm005644182
_cell_length_a 3.45945
_cell_length_b 9.22373
_cell_length_c 5.98977
_cell_angle_alpha 108.95536
_cell_angle_beta 89.99827
_cell_angle_gamma 100.81703
_cell_volume 177.16920
_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 0.16919 0.33830 0.33574 1.00000
Y2 Y 0.83081 0.66170 0.66426 1.00000
Y3 Y 0.33082 0.66172 0.16426 1.00000
Y4 Y 0.66918 0.33828 0.83574 1.00000
U1 U 0.50000 0.00000 0.00000 1.00000
U2 U 0.00000 0.00000 0.50000 1.00000
N1 N 0.92175 0.84336 0.08851 1.00000
N2 N 0.07825 0.15664 0.91149 1.00000
N3 N 0.75001 0.50002 0.25000 1.00000
N4 N 0.24999 0.49998 0.75000 1.00000
N5 N 0.42176 0.84337 0.58854 1.00000
N6 N 0.57824 0.15663 0.41146 1.00000
Get direct link