Nd5NbN6
Alexandria ALEXAlex-ID: agm003678042 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_83_spg12
NdNbN2 NdN
2022-04-10 00:20:35.791581
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003678042).
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 agm003678042
data_agm003678042
_cell_length_a 6.12319
_cell_length_b 6.15179
_cell_length_c 6.14309
_cell_angle_alpha 59.95311
_cell_angle_beta 80.36310
_cell_angle_gamma 70.46798
_cell_volume 188.77817
_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
Nd1 Nd 0.50000 0.16434 0.67132 1.00000
Nd2 Nd 1.00000 0.33300 0.33400 1.00000
Nd3 Nd 0.50000 0.50000 0.00000 1.00000
Nd4 Nd 0.00000 0.66700 0.66600 1.00000
Nd5 Nd 0.50000 0.83566 0.32868 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
N1 N 0.77369 0.07597 0.29975 1.00000
N2 N 0.22631 0.62428 0.29975 1.00000
N3 N 0.23544 0.22595 1.00000 1.00000
N4 N 0.76456 0.77405 0.00000 1.00000
N5 N 0.77369 0.37572 0.70025 1.00000
N6 N 0.22631 0.92403 0.70025 1.00000
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