Ti2PtRh3
Alexandria ALEXAlex-ID: agm005661244 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_620_spg227
TiPtRh TiPtRh2 Ti3Rh5
2023-08-25 07:13:02.970667
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661244).
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 agm005661244
data_agm005661244
_cell_length_a 8.11590
_cell_length_b 8.11590
_cell_length_c 8.11771
_cell_angle_alpha 119.99261
_cell_angle_beta 119.99261
_cell_angle_gamma 90.00000
_cell_volume 378.17131
_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 0.90020 0.70521 0.80041 1.00000
Ti2 Ti 0.34980 0.65480 0.69959 1.00000
Ti3 Ti 0.29479 0.09980 0.19959 1.00000
Ti4 Ti 0.34520 0.65020 0.30041 1.00000
Ti5 Ti 0.90480 0.09980 0.19959 1.00000
Ti6 Ti 0.95521 0.65020 0.30041 1.00000
Ti7 Ti 0.34980 0.04479 0.69959 1.00000
Ti8 Ti 0.90020 0.09520 0.80041 1.00000
Pt1 Pt 0.29474 0.29474 0.58947 1.00000
Pt2 Pt 0.70526 0.70526 0.41053 1.00000
Pt3 Pt 0.54474 0.04474 0.08947 1.00000
Pt4 Pt 0.95526 0.45526 0.91053 1.00000
Rh1 Rh 0.29368 0.70632 1.00000 1.00000
Rh2 Rh 0.12500 0.87500 0.25000 1.00000
Rh3 Rh 0.12500 0.37500 0.25000 1.00000
Rh4 Rh 0.70632 0.70632 0.00000 1.00000
Rh5 Rh 0.70632 0.29368 0.00000 1.00000
Rh6 Rh 0.95632 0.45632 0.50000 1.00000
Rh7 Rh 0.62500 0.87500 0.75000 1.00000
Rh8 Rh 0.12500 0.87500 0.75000 1.00000
Rh9 Rh 0.54368 0.04368 0.50000 1.00000
Rh10 Rh 0.54368 0.45632 0.50000 1.00000
Rh11 Rh 0.29368 0.29368 1.00000 1.00000
Rh12 Rh 0.95632 0.04368 0.50000 1.00000
