Nb4NO3
Alexandria ALEXAlex-ID: agm005491185 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_324_spg1
NbO2 Nb2N NbO
2023-03-19 03:01:40.947848
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005491185).
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 agm005491185
data_agm005491185
_cell_length_a 4.73211
_cell_length_b 4.98646
_cell_length_c 5.15140
_cell_angle_alpha 76.95372
_cell_angle_beta 88.70096
_cell_angle_gamma 89.02575
_cell_volume 118.37791
_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 0.49868 0.69836 0.67745 1.00000
Nb2 Nb 0.07683 0.77605 0.32813 1.00000
Nb3 Nb 0.44765 0.29162 0.28073 1.00000
Nb4 Nb 0.97814 0.24116 0.69930 1.00000
N1 N 0.75582 0.01516 0.50036 1.00000
O1 O 0.70078 0.37096 0.94098 1.00000
O2 O 0.19121 0.13526 0.04850 1.00000
O3 O 0.27398 0.64633 0.02960 1.00000
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