WN2
Alexandria ALEXAlex-ID: agm005249937 · Space group: Pbca (#61)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_506_spg61
W2N3 N2
2023-05-09 20:13:23.812981
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005249937).
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 agm005249937
data_agm005249937
_cell_length_a 5.38171
_cell_length_b 5.69515
_cell_length_c 9.43980
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 289.32684
_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
W1 W 0.17086 0.90137 0.87344 1.00000
W2 W 0.67086 0.59863 0.87344 1.00000
W3 W 0.17086 0.40137 0.62656 1.00000
W4 W 0.67086 0.09863 0.62656 1.00000
W5 W 0.32914 0.90137 0.37344 1.00000
W6 W 0.82914 0.59863 0.37344 1.00000
W7 W 0.32914 0.40137 0.12656 1.00000
W8 W 0.82914 0.09863 0.12656 1.00000
N1 N 0.79185 0.86034 0.99260 1.00000
N2 N 0.29185 0.63966 0.99260 1.00000
N3 N 0.46542 0.91810 0.77061 1.00000
N4 N 0.96542 0.58190 0.77061 1.00000
N5 N 0.46542 0.41810 0.72939 1.00000
N6 N 0.96542 0.08190 0.72939 1.00000
N7 N 0.29185 0.13966 0.50740 1.00000
N8 N 0.79185 0.36034 0.50740 1.00000
N9 N 0.70815 0.86034 0.49260 1.00000
N10 N 0.20815 0.63966 0.49260 1.00000
N11 N 0.03458 0.91810 0.27061 1.00000
N12 N 0.53458 0.58190 0.27061 1.00000
N13 N 0.03458 0.41810 0.22939 1.00000
N14 N 0.53458 0.08190 0.22939 1.00000
N15 N 0.70815 0.36034 0.00740 1.00000
N16 N 0.20815 0.13966 0.00740 1.00000
