Ti6PdRh5
Alexandria ALEXAlex-ID: agm006067775 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_50_spg71
Ti3Pd5 Ti2Rh TiRh
2023-09-10 21:17:24.179679
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006067775).
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 agm006067775
data_agm006067775
_cell_length_a 4.15171
_cell_length_b 7.00329
_cell_length_c 7.44134
_cell_angle_alpha 118.07092
_cell_angle_beta 106.17992
_cell_angle_gamma 90.00196
_cell_volume 181.13900
_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
Rh1 Rh 0.66230 0.16229 0.32420 1.00000
Rh2 Rh 0.32993 0.32994 0.65961 1.00000
Rh3 Rh 0.00000 0.50000 0.00000 1.00000
Rh4 Rh 0.67007 0.67006 0.34039 1.00000
Rh5 Rh 0.33770 0.83771 0.67580 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.83184 0.57814 0.66374 1.00000
Ti2 Ti 0.83178 0.08548 0.66357 1.00000
Ti3 Ti 0.50006 0.74158 0.00017 1.00000
Ti4 Ti 0.49994 0.25842 0.99983 1.00000
Ti5 Ti 0.16822 0.91452 0.33643 1.00000
Ti6 Ti 0.16816 0.42186 0.33626 1.00000
Get direct link