GaW2N3
Alexandria ALEXAlex-ID: agm005237939 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_836_spg15
WN GaN
2023-05-09 20:21:03.886609
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005237939).
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 agm005237939
data_agm005237939
_cell_length_a 7.52139
_cell_length_b 7.52139
_cell_length_c 8.66949
_cell_angle_alpha 87.71643
_cell_angle_beta 87.71643
_cell_angle_gamma 138.14421
_cell_volume 325.21027
_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 0.71280 0.69042 0.13676 1.00000
Ga2 Ga 0.30958 0.28720 0.36324 1.00000
Ga3 Ga 0.28720 0.30958 0.86324 1.00000
Ga4 Ga 0.69042 0.71280 0.63676 1.00000
W1 W 0.95642 0.49281 0.34010 1.00000
W2 W 0.50719 0.04358 0.15990 1.00000
W3 W 0.04358 0.50719 0.65990 1.00000
W4 W 0.49281 0.95642 0.84010 1.00000
W5 W 0.02252 0.31651 0.10165 1.00000
W6 W 0.68349 0.97748 0.39835 1.00000
W7 W 0.97748 0.68349 0.89835 1.00000
W8 W 0.31651 0.02252 0.60165 1.00000
N1 N 0.32545 0.67455 0.25000 1.00000
N2 N 0.67455 0.32545 0.75000 1.00000
N3 N 0.85101 0.45342 0.11738 1.00000
N4 N 0.54658 0.14899 0.38262 1.00000
N5 N 0.14899 0.54658 0.88262 1.00000
N6 N 0.45342 0.85101 0.61738 1.00000
N7 N 0.02823 0.71461 0.48868 1.00000
N8 N 0.28539 0.97177 0.01132 1.00000
N9 N 0.97177 0.28539 0.51132 1.00000
N10 N 0.71461 0.02823 0.98868 1.00000
N11 N 0.95065 0.04935 0.25000 1.00000
N12 N 0.04935 0.95065 0.75000 1.00000
