Ta6Nb2Ru
Alexandria ALEXAlex-ID: agm005690663 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_733_spg12
Ta4NbRu Ta2Nb
2023-07-08 20:11:35.018937
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690663).
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 agm005690663
data_agm005690663
_cell_length_a 3.14320
_cell_length_b 7.22586
_cell_length_c 8.08648
_cell_angle_alpha 63.46231
_cell_angle_beta 85.33429
_cell_angle_gamma 79.51022
_cell_volume 161.56576
_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
Ta1 Ta 0.17391 0.83079 0.67034 1.00000
Ta2 Ta 0.82609 0.16921 0.32966 1.00000
Ta3 Ta 0.32840 0.32652 0.00000 1.00000
Ta4 Ta 0.17391 0.50113 0.32966 1.00000
Ta5 Ta 0.82609 0.49887 0.67034 1.00000
Ta6 Ta 0.67160 0.67348 1.00000 1.00000
Nb1 Nb 0.50000 0.83997 0.32006 1.00000
Nb2 Nb 0.50000 0.16003 0.67994 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
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