V(TcRu3)2
Alexandria ALEXAlex-ID: agm005652145 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_660_spg15
V6Tc5Ru TcRu3 V3Ru5
2023-07-10 14:20:39.610988
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652145).
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 agm005652145
data_agm005652145
_cell_length_a 5.77065
_cell_length_b 5.76990
_cell_length_c 8.12978
_cell_angle_alpha 97.70631
_cell_angle_beta 97.69744
_cell_angle_gamma 102.75317
_cell_volume 257.85516
_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
V1 V 0.91727 0.08273 0.25000 1.00000
V2 V 0.08273 0.91727 0.75000 1.00000
Tc1 Tc 0.50381 0.18097 0.31048 1.00000
Tc2 Tc 0.81903 0.49619 0.18951 1.00000
Tc3 Tc 0.49619 0.81903 0.68952 1.00000
Tc4 Tc 0.18097 0.50381 0.81049 1.00000
Ru1 Ru 0.18125 0.43704 0.44425 1.00000
Ru2 Ru 0.56295 0.81875 0.05575 1.00000
Ru3 Ru 0.81875 0.56296 0.55575 1.00000
Ru4 Ru 0.43705 0.18125 0.94425 1.00000
Ru5 Ru 0.74489 0.54968 0.86863 1.00000
Ru6 Ru 0.45033 0.25512 0.63137 1.00000
Ru7 Ru 0.25511 0.45032 0.13137 1.00000
Ru8 Ru 0.54967 0.74488 0.36863 1.00000
Ru9 Ru 0.13650 0.85378 0.07247 1.00000
Ru10 Ru 0.14622 0.86350 0.42753 1.00000
Ru11 Ru 0.86350 0.14622 0.92753 1.00000
Ru12 Ru 0.85378 0.13650 0.57247 1.00000
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