Nb2VNi2Ru5
Alexandria ALEXAlex-ID: agm005134405 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_50_spg127
Nb2VRu5 V3Ru5 Ru NbNi3
2022-07-15 06:17:48.594544
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005134405).
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 agm005134405
data_agm005134405
_cell_length_a 3.80984
_cell_length_b 8.72076
_cell_length_c 8.72076
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 289.74409
_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 0.00000 0.66871 0.16871 1.00000
Nb2 Nb 0.00000 0.33129 0.83129 1.00000
Nb3 Nb 0.00000 0.16871 0.33129 1.00000
Nb4 Nb 0.00000 0.83129 0.66871 1.00000
V1 V 0.00000 0.00000 0.00000 1.00000
V2 V 0.00000 0.50000 0.50000 1.00000
Ni1 Ni 0.00000 0.12623 0.62623 1.00000
Ni2 Ni 0.00000 0.87377 0.37377 1.00000
Ni3 Ni 0.00000 0.62623 0.87377 1.00000
Ni4 Ni 0.00000 0.37377 0.12623 1.00000
Ru1 Ru 0.50000 0.19812 0.07403 1.00000
Ru2 Ru 0.50000 0.80188 0.92597 1.00000
Ru3 Ru 0.50000 0.07403 0.80188 1.00000
Ru4 Ru 0.50000 0.69812 0.42597 1.00000
Ru5 Ru 0.50000 0.92597 0.19812 1.00000
Ru6 Ru 0.50000 0.30188 0.57403 1.00000
Ru7 Ru 0.50000 0.57403 0.69812 1.00000
Ru8 Ru 0.50000 0.42597 0.30188 1.00000
Ru9 Ru 0.50000 0.50000 0.00000 1.00000
Ru10 Ru 0.50000 0.00000 0.50000 1.00000
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