Nb2V5W4
Alexandria ALEXAlex-ID: agm005659500 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_613_spg12
V2W3 Nb2V3W
2023-06-22 17:47:38.294428
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659500).
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 agm005659500
data_agm005659500
_cell_length_a 2.74019
_cell_length_b 6.77844
_cell_length_c 9.38822
_cell_angle_alpha 94.56550
_cell_angle_beta 78.63720
_cell_angle_gamma 97.70451
_cell_volume 169.16340
_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 0.86207 0.18202 0.54974 1.00000
Nb2 Nb 0.13793 0.81798 0.45026 1.00000
V1 V 0.68472 0.08649 0.25968 1.00000
V2 V 0.31528 0.91351 0.74032 1.00000
V3 V 0.95244 0.73115 0.17470 1.00000
V4 V 0.50000 0.00000 0.00000 1.00000
V5 V 0.04756 0.26885 0.82530 1.00000
W1 W 0.41124 0.45083 0.35624 1.00000
W2 W 0.22543 0.35901 0.08664 1.00000
W3 W 0.58876 0.54917 0.64376 1.00000
W4 W 0.77457 0.64099 0.91336 1.00000
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