NbV4(MoN4)3
Alexandria ALEXAlex-ID: agm045496674 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D12_413_spg1
Nb5N6 MoN2 VN N2
2024-10-22 15:10:53.128830
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045496674).
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 agm045496674
data_agm045496674
_cell_length_a 5.32848
_cell_length_b 5.15789
_cell_length_c 9.50280
_cell_angle_alpha 118.79203
_cell_angle_beta 82.31177
_cell_angle_gamma 95.59406
_cell_volume 226.66295
_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 0.16324 0.92564 0.16824 1.00000
V1 V 0.16180 0.17617 0.92332 1.00000
V2 V 0.70668 0.52417 0.68409 1.00000
V3 V 0.69425 0.73994 0.01986 1.00000
V4 V 0.22404 0.89420 0.55621 1.00000
Mo1 Mo 0.17967 0.42318 0.59073 1.00000
Mo2 Mo 0.77821 0.86619 0.44159 1.00000
Mo3 Mo 0.58711 0.27898 0.06889 1.00000
N1 N 0.78460 0.71319 0.20281 1.00000
N2 N 0.06924 0.29641 0.77545 1.00000
N3 N 0.40913 0.31277 0.26693 1.00000
N4 N 0.55736 0.87883 0.84704 1.00000
N5 N 0.14234 0.00446 0.39797 1.00000
N6 N 0.33544 0.82535 0.77553 1.00000
N7 N 0.41860 0.53411 0.41392 1.00000
N8 N 0.85239 0.43653 0.82733 1.00000
N9 N 0.91503 0.65237 0.54911 1.00000
N10 N 0.34726 0.54595 0.04359 1.00000
N11 N 0.52511 0.16925 0.57754 1.00000
N12 N 0.93042 0.08133 0.05863 1.00000
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