Nb(VRu)3
Alexandria ALEXAlex-ID: agm005990599 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_294_spg65
Nb5VRu6 Nb2VRu5 V2Ru
2023-08-06 21:23:04.724106
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990599).
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 agm005990599
data_agm005990599
_cell_length_a 6.03833
_cell_length_b 6.03833
_cell_length_c 5.75947
_cell_angle_alpha 89.99952
_cell_angle_beta 89.99947
_cell_angle_gamma 91.91239
_cell_volume 209.88136
_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 0.32341 0.32341 0.00003 1.00000
Nb2 Nb 0.67659 0.67659 0.99997 1.00000
V1 V 0.23897 0.23897 0.49998 1.00000
V2 V 0.33589 0.66411 0.50000 1.00000
V3 V 0.66411 0.33589 0.50000 1.00000
V4 V 0.22536 0.77464 0.00000 1.00000
V5 V 0.77464 0.22536 1.00000 1.00000
V6 V 0.76103 0.76103 0.50002 1.00000
Ru1 Ru 0.00000 0.00000 0.74595 1.00000
Ru2 Ru 0.50001 0.99995 0.25543 1.00000
Ru3 Ru 0.99994 0.50001 0.25543 1.00000
Ru4 Ru 0.49999 0.00005 0.74457 1.00000
Ru5 Ru 0.00006 0.49999 0.74457 1.00000
Ru6 Ru 1.00000 1.00000 0.25405 1.00000
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