Nb2VS4
Alexandria ALEXAlex-ID: agm003447828 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1203_spg11
V5S4 Nb3S4 Nb3VS6
2022-02-20 00:49:46.253354
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003447828).
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 agm003447828
data_agm003447828
_cell_length_a 6.40875
_cell_length_b 6.19347
_cell_length_c 6.55762
_cell_angle_alpha 90.00000
_cell_angle_beta 106.01535
_cell_angle_gamma 90.00000
_cell_volume 250.18564
_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 0.71326 0.75000 0.01989 1.00000
Nb2 Nb 0.28674 0.25000 0.98011 1.00000
Nb3 Nb 0.29530 0.25000 0.41994 1.00000
Nb4 Nb 0.70470 0.75000 0.58006 1.00000
V1 V 0.23295 0.75000 0.20200 1.00000
V2 V 0.76705 0.25000 0.79800 1.00000
S1 S 0.51319 0.50423 0.25267 1.00000
S2 S 0.02228 0.75000 0.87418 1.00000
S3 S 0.97772 0.25000 0.12582 1.00000
S4 S 0.51319 0.99577 0.25267 1.00000
S5 S 0.02155 0.25000 0.62332 1.00000
S6 S 0.48681 0.00423 0.74733 1.00000
S7 S 0.48681 0.49577 0.74733 1.00000
S8 S 0.97845 0.75000 0.37668 1.00000
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