Ti3Pd3Rh
Alexandria ALEXAlex-ID: agm003544155 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_425_spg12
Ti3Pd5 Ti2Rh TiRh
2022-04-04 11:28:13.517715
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003544155).
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 agm003544155
data_agm003544155
_cell_length_a 5.14513
_cell_length_b 5.14513
_cell_length_c 8.82170
_cell_angle_alpha 87.56113
_cell_angle_beta 87.56113
_cell_angle_gamma 105.27499
_cell_volume 224.72623
_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 0.72224 0.72224 0.04861 1.00000
Ti2 Ti 0.87034 0.47971 0.72623 1.00000
Ti3 Ti 0.47971 0.87034 0.72623 1.00000
Ti4 Ti 0.12966 0.52029 0.27377 1.00000
Ti5 Ti 0.52029 0.12966 0.27377 1.00000
Ti6 Ti 0.27776 0.27776 0.95139 1.00000
Pd1 Pd 0.63565 0.63565 0.37180 1.00000
Pd2 Pd 0.17475 0.82525 0.50000 1.00000
Pd3 Pd 0.82525 0.17475 0.50000 1.00000
Pd4 Pd 0.24334 0.75666 0.00000 1.00000
Pd5 Pd 0.75666 0.24334 0.00000 1.00000
Pd6 Pd 0.36435 0.36435 0.62820 1.00000
Rh1 Rh 0.96764 0.96764 0.77660 1.00000
Rh2 Rh 0.03236 0.03236 0.22340 1.00000
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