Ti6Ru5
Alexandria ALEXAlex-ID: agm007828371 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B6_70_spg71
Ti3Ru2 TiRu
2024-04-11 01:03:22.912008
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007828371).
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 agm007828371
data_agm007828371
_cell_length_a 7.50070
_cell_length_b 7.50070
_cell_length_c 7.50070
_cell_angle_alpha 146.36877
_cell_angle_beta 132.17675
_cell_angle_gamma 59.73239
_cell_volume 171.64179
_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 0.75909 0.50000 0.25909 1.00000
Ti2 Ti 0.24091 0.50000 0.74091 1.00000
Ti3 Ti 0.40761 0.16321 0.24440 1.00000
Ti4 Ti 0.91882 0.16321 0.75560 1.00000
Ti5 Ti 0.59239 0.83679 0.75560 1.00000
Ti6 Ti 0.08118 0.83679 0.24440 1.00000
Ru1 Ru 0.50000 0.00000 0.50000 1.00000
Ru2 Ru 0.33479 0.33479 0.00000 1.00000
Ru3 Ru 0.66521 0.66521 0.00000 1.00000
Ru4 Ru 0.16971 0.66971 0.50000 1.00000
Ru5 Ru 0.83029 0.33029 0.50000 1.00000
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