Pr5NbN6
Alexandria ALEXAlex-ID: agm003678044 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_30_spg12
PrNbN2 PrN
2022-04-10 00:20:02.424271
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003678044).
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 agm003678044
data_agm003678044
_cell_length_a 6.17386
_cell_length_b 6.20707
_cell_length_c 6.19958
_cell_angle_alpha 59.96000
_cell_angle_beta 80.37414
_cell_angle_gamma 70.48681
_cell_volume 193.85296
_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
Pr1 Pr 0.50000 0.16392 0.67216 1.00000
Pr2 Pr 1.00000 0.33293 0.33414 1.00000
Pr3 Pr 0.50000 0.50000 0.00000 1.00000
Pr4 Pr 0.00000 0.66707 0.66586 1.00000
Pr5 Pr 0.50000 0.83608 0.32784 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
N1 N 0.77616 0.07523 0.29640 1.00000
N2 N 0.22384 0.62838 0.29640 1.00000
N3 N 0.23448 0.22398 1.00000 1.00000
N4 N 0.76552 0.77602 0.00000 1.00000
N5 N 0.77616 0.37162 0.70360 1.00000
N6 N 0.22384 0.92477 0.70360 1.00000
Get direct link