Nd3(NbN3)2
Alexandria ALEXAlex-ID: agm002164136 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_169_spg139
Nd3(NbN3)2
2023-03-26 11:00:48.660126
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002164136).
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 agm002164136
data_agm002164136
_cell_length_a 4.08079
_cell_length_b 4.08079
_cell_length_c 10.28803
_cell_angle_alpha 101.44856
_cell_angle_beta 101.44856
_cell_angle_gamma 89.99659
_cell_volume 164.43757
_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
Nb1 Nb 0.39807 0.39807 0.79589 1.00000
Nb2 Nb 0.60193 0.60193 0.20411 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Nd2 Nd 0.82210 0.82210 0.64317 1.00000
Nd3 Nd 0.17790 0.17790 0.35683 1.00000
N1 N 0.58405 0.08402 0.16794 1.00000
N2 N 0.08402 0.58405 0.16794 1.00000
N3 N 0.41595 0.91598 0.83206 1.00000
N4 N 0.91598 0.41595 0.83206 1.00000
N5 N 0.70128 0.70128 0.40133 1.00000
N6 N 0.29872 0.29872 0.59867 1.00000
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