Pr2NbMoN5
Alexandria ALEXAlex-ID: agm005163097 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_216_spg36
Pr3(MoN3)2 Nb5N6 Pr3(NbN3)2 PrMoN3
2023-01-16 20:26:47.224744
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005163097).
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 agm005163097
data_agm005163097
_cell_length_a 3.38904
_cell_length_b 6.99519
_cell_length_c 10.62562
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.01883
_cell_volume 244.39851
_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 0.85410 0.70820 0.79539 1.00000
Pr2 Pr 0.10968 0.21937 0.69168 1.00000
Pr3 Pr 0.14590 0.29180 0.29539 1.00000
Pr4 Pr 0.89032 0.78063 0.19168 1.00000
Nb1 Nb 0.77940 0.55880 0.51210 1.00000
Nb2 Nb 0.22060 0.44120 0.01210 1.00000
Mo1 Mo 0.52841 0.05682 0.96089 1.00000
Mo2 Mo 0.47159 0.94318 0.46089 1.00000
N1 N 0.36632 0.73264 0.00045 1.00000
N2 N 0.68073 0.36145 0.88282 1.00000
N3 N 0.49071 0.98142 0.78935 1.00000
N4 N 0.28282 0.56565 0.64401 1.00000
N5 N 0.95286 0.90571 0.54727 1.00000
N6 N 0.63368 0.26736 0.50045 1.00000
N7 N 0.31927 0.63855 0.38282 1.00000
N8 N 0.50929 0.01858 0.28935 1.00000
N9 N 0.71718 0.43435 0.14401 1.00000
N10 N 0.04714 0.09429 0.04727 1.00000
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