NpWN3
Alexandria ALEXAlex-ID: agm002223652 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_934_spg12
Np7N12 WN W2N3
2023-03-26 10:42:35.456426
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002223652).
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 agm002223652
data_agm002223652
_cell_length_a 3.41219
_cell_length_b 5.55039
_cell_length_c 7.79735
_cell_angle_alpha 106.73773
_cell_angle_beta 102.62532
_cell_angle_gamma 90.01068
_cell_volume 137.68244
_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
Np1 Np 0.57555 0.29613 0.15046 1.00000
Np2 Np 0.42445 0.70387 0.84954 1.00000
W1 W 0.17410 0.91948 0.34791 1.00000
W2 W 0.82590 0.08052 0.65209 1.00000
N1 N 0.12058 0.56140 0.24041 1.00000
N2 N 0.87942 0.43860 0.75959 1.00000
N3 N 0.97343 0.08574 0.94583 1.00000
N4 N 0.30632 0.87250 0.61302 1.00000
N5 N 0.02657 0.91426 0.05417 1.00000
N6 N 0.69368 0.12750 0.38698 1.00000
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