Np2NbN3
Alexandria ALEXAlex-ID: agm033429159 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
Np2NbN3
2025-04-15 08:21:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033429159).
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 agm033429159
data_agm033429159
_cell_length_a 5.76564
_cell_length_b 5.76658
_cell_length_c 10.54173
_cell_angle_alpha 100.47752
_cell_angle_beta 100.47810
_cell_angle_gamma 109.59274
_cell_volume 313.33812
_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 0.37477 0.62463 0.74929 1.00000
Np2 Np 0.45842 0.20834 0.91682 1.00000
Np3 Np 0.54158 0.79166 0.08318 1.00000
Np4 Np 0.62523 0.37537 0.25071 1.00000
Np5 Np 0.12464 0.87477 0.24929 1.00000
Np6 Np 0.70837 0.95846 0.41686 1.00000
Np7 Np 0.29163 0.04154 0.58314 1.00000
Np8 Np 0.87536 0.12523 0.75071 1.00000
Nb1 Nb 0.95816 0.70795 0.91606 1.00000
Nb2 Nb 0.04184 0.29205 0.08394 1.00000
Nb3 Nb 0.20797 0.45815 0.41605 1.00000
Nb4 Nb 0.79203 0.54185 0.58395 1.00000
N1 N 0.19512 0.45982 0.92166 1.00000
N2 N 0.72664 0.96167 0.92165 1.00000
N3 N 0.80488 0.54018 0.07834 1.00000
N4 N 0.27336 0.03833 0.07835 1.00000
N5 N 0.35898 0.60905 0.24996 1.00000
N6 N 0.89091 0.14104 0.24999 1.00000
N7 N 0.46167 0.22671 0.42162 1.00000
N8 N 0.95979 0.69500 0.42162 1.00000
N9 N 0.53833 0.77329 0.57838 1.00000
N10 N 0.04021 0.30500 0.57838 1.00000
N11 N 0.64102 0.39095 0.75004 1.00000
N12 N 0.10909 0.85896 0.75001 1.00000
