TiPd3Pt
Alexandria ALEXAlex-ID: agm003707166 · Space group: Ima2 (#46)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5301_spg74
TiPd4Pt TiPd5 Ti2(PdPt)3
2022-04-18 03:04:36.859171
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003707166).
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 agm003707166
data_agm003707166
_cell_length_a 6.36138
_cell_length_b 6.36138
_cell_length_c 6.36138
_cell_angle_alpha 96.37885
_cell_angle_beta 101.86598
_cell_angle_gamma 133.10007
_cell_volume 172.16686
_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 0.74888 0.86286 0.38602 1.00000
Ti2 Ti 0.47684 0.36286 0.61398 1.00000
Pd1 Pd 0.12936 0.29241 0.81026 1.00000
Pd2 Pd 0.12936 0.81910 0.33695 1.00000
Pd3 Pd 0.48215 0.79241 0.66305 1.00000
Pd4 Pd 0.08754 0.32628 0.26126 1.00000
Pd5 Pd 0.48215 0.31910 0.18974 1.00000
Pd6 Pd 0.06502 0.82628 0.73874 1.00000
Pt1 Pt 0.44448 0.85763 0.08685 1.00000
Pt2 Pt 0.77078 0.35763 0.91315 1.00000
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