Na2Nb3InN6
Alexandria ALEXAlex-ID: agm039487516 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_594_spg8
NaNbN2 Nb5N6 NaN3 In
2024-10-15 12:29:26.936172
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm039487516).
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 agm039487516
data_agm039487516
_cell_length_a 5.42925
_cell_length_b 5.42925
_cell_length_c 6.00337
_cell_angle_alpha 81.22735
_cell_angle_beta 81.22735
_cell_angle_gamma 119.87544
_cell_volume 146.15935
_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
Na1 Na 0.66629 0.33371 0.50000 1.00000
Na2 Na 0.33371 0.66629 0.50000 1.00000
Nb1 Nb 0.83161 0.16839 0.00000 1.00000
Nb2 Nb 0.16839 0.83161 0.00000 1.00000
Nb3 Nb 0.50000 0.50000 0.00000 1.00000
In1 In 0.00000 0.00000 0.50000 1.00000
N1 N 0.57839 0.90313 0.79143 1.00000
N2 N 0.77147 0.77147 0.20575 1.00000
N3 N 0.42161 0.09687 0.20857 1.00000
N4 N 0.90313 0.57839 0.79143 1.00000
N5 N 0.22853 0.22853 0.79425 1.00000
N6 N 0.09687 0.42161 0.20857 1.00000
Get direct link