Ti6Ru2Rh
Alexandria ALEXAlex-ID: agm017666338 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_299_spg2
Ti5Ru2 Ti12RuRh5 Ti3Ru2
2025-02-06 18:08:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017666338).
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 agm017666338
data_agm017666338
_cell_length_a 8.14455
_cell_length_b 6.90150
_cell_length_c 5.30849
_cell_angle_alpha 82.56865
_cell_angle_beta 57.16744
_cell_angle_gamma 40.26392
_cell_volume 138.04892
_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
Ti1 Ti 0.00959 0.32626 0.67374 1.00000
Ti2 Ti 0.67374 0.99041 0.00959 1.00000
Ti3 Ti 0.32626 0.00959 0.99041 1.00000
Ti4 Ti 0.65960 0.34040 0.65960 1.00000
Ti5 Ti 0.34040 0.65960 0.34040 1.00000
Ti6 Ti 0.99041 0.67374 0.32626 1.00000
Ru1 Ru 0.66581 0.66581 0.33419 1.00000
Ru2 Ru 0.33419 0.33419 0.66581 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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