NbVFe
Alexandria ALEXAlex-ID: agm017161574 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_10321_spg38
Nb2VFe3 Nb2V3Fe
2024-11-03 06:06:24.288810
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017161574).
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 agm017161574
data_agm017161574
_cell_length_a 4.91640
_cell_length_b 4.91640
_cell_length_c 8.08745
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 119.67470
_cell_volume 169.84403
_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 0.66836 0.33164 0.68705 1.00000
Nb2 Nb 0.33718 0.66282 0.80546 1.00000
Nb3 Nb 0.33718 0.66282 0.19454 1.00000
Nb4 Nb 0.66836 0.33164 0.31295 1.00000
V1 V 0.16323 0.83677 0.50000 1.00000
V2 V 0.83564 0.66205 0.00000 1.00000
V3 V 0.33795 0.16436 0.00000 1.00000
V4 V 0.83334 0.16666 0.00000 1.00000
Fe1 Fe 0.99878 0.00122 0.74455 1.00000
Fe2 Fe 0.99878 0.00122 0.25545 1.00000
Fe3 Fe 0.16501 0.34348 0.50000 1.00000
Fe4 Fe 0.65652 0.83499 0.50000 1.00000
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