Ta2Nb7Ru2
Alexandria ALEXAlex-ID: agm003326166 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_312_spg12
Nb7Ru Nb5Ru Ta2NbRu
2022-01-22 11:04:12.169458
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003326166).
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
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# CIF generated by HEAS from Alexandria entry agm003326166
data_agm003326166
_cell_length_a 7.21188
_cell_length_b 5.42138
_cell_length_c 5.42138
_cell_angle_alpha 104.53006
_cell_angle_beta 80.54596
_cell_angle_gamma 80.54596
_cell_volume 197.65943
_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 0.50000 0.31181 0.68819 1.00000
Ta2 Ta 0.50000 0.68819 0.31181 1.00000
Nb1 Nb 0.17715 0.09704 0.47654 1.00000
Nb2 Nb 0.82285 0.52346 0.90296 1.00000
Nb3 Nb 0.82285 0.90296 0.52346 1.00000
Nb4 Nb 0.17715 0.47654 0.09704 1.00000
Nb5 Nb 0.00000 0.00000 0.00000 1.00000
Nb6 Nb 0.39006 0.87555 0.87555 1.00000
Nb7 Nb 0.60994 0.12445 0.12445 1.00000
Ru1 Ru 0.82964 0.40625 0.40625 1.00000
Ru2 Ru 0.17036 0.59375 0.59375 1.00000
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