U2N3
Alexandria ALEXAlex-ID: agm005223613 · Space group: Ia-3 (#206)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_4_spg206
UN U4N7
2022-12-01 09:33:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005223613).
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 agm005223613
data_agm005223613
_cell_length_a 9.23395
_cell_length_b 9.23395
_cell_length_c 9.23395
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 606.09404
_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
U1 U 0.50000 0.50000 0.50000 1.00000
U2 U 0.00000 0.50000 0.00000 1.00000
U3 U 0.00000 0.00000 0.50000 1.00000
U4 U 0.50000 0.00000 0.00000 1.00000
U5 U 0.22844 0.97844 0.25000 1.00000
U6 U 0.52156 0.75000 0.27156 1.00000
U7 U 0.75000 0.27156 0.52156 1.00000
U8 U 0.97844 0.25000 0.22844 1.00000
U9 U 0.25000 0.22844 0.97844 1.00000
U10 U 0.27156 0.52156 0.75000 1.00000
U11 U 0.77156 0.02156 0.75000 1.00000
U12 U 0.47844 0.25000 0.72844 1.00000
U13 U 0.25000 0.72844 0.47844 1.00000
U14 U 0.02156 0.75000 0.77156 1.00000
U15 U 0.75000 0.77156 0.02156 1.00000
U16 U 0.72844 0.47844 0.25000 1.00000
N1 N 0.76268 0.52879 0.52588 1.00000
N2 N 0.97121 0.73389 0.99708 1.00000
N3 N 0.76611 0.73732 0.26319 1.00000
N4 N 0.23681 0.97412 0.50292 1.00000
N5 N 0.73389 0.99708 0.97121 1.00000
N6 N 0.26319 0.76611 0.73732 1.00000
N7 N 0.97412 0.50292 0.23681 1.00000
N8 N 0.52588 0.76268 0.52879 1.00000
N9 N 0.52879 0.52588 0.76268 1.00000
N10 N 0.99708 0.97121 0.73389 1.00000
N11 N 0.73732 0.26319 0.76611 1.00000
N12 N 0.50292 0.23681 0.97412 1.00000
N13 N 0.23732 0.47121 0.47412 1.00000
N14 N 0.02879 0.26611 0.00292 1.00000
N15 N 0.23389 0.26268 0.73681 1.00000
N16 N 0.76319 0.02588 0.49708 1.00000
N17 N 0.26611 0.00292 0.02879 1.00000
N18 N 0.73681 0.23389 0.26268 1.00000
N19 N 0.02588 0.49708 0.76319 1.00000
N20 N 0.47412 0.23732 0.47121 1.00000
N21 N 0.47121 0.47412 0.23732 1.00000
N22 N 0.00292 0.02879 0.26611 1.00000
N23 N 0.26268 0.73681 0.23389 1.00000
N24 N 0.49708 0.76319 0.02588 1.00000
