NbV3
Alexandria ALEXAlex-ID: agm003296356 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_50_spg166
NbV2 V
2022-01-17 10:43:43.493479
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003296356).
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 agm003296356
data_agm003296356
_cell_length_a 5.14754
_cell_length_b 5.14754
_cell_length_c 8.47229
_cell_angle_alpha 90.01841
_cell_angle_beta 107.65958
_cell_angle_gamma 120.01142
_cell_volume 182.06015
_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 0.28925 0.14454 0.43379 1.00000
Nb2 Nb 0.71075 0.85546 0.56621 1.00000
Nb3 Nb 0.00000 0.00000 0.00000 1.00000
V1 V 0.66451 0.08097 0.24776 1.00000
V2 V 0.16678 0.58324 0.24776 1.00000
V3 V 0.66446 0.58346 0.24791 1.00000
V4 V 0.00000 0.50000 0.50000 1.00000
V5 V 0.33485 0.66736 0.00221 1.00000
V6 V 0.66515 0.33264 0.99779 1.00000
V7 V 0.83322 0.41676 0.75224 1.00000
V8 V 0.33549 0.91903 0.75224 1.00000
V9 V 0.33554 0.41654 0.75209 1.00000
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