Ti3(Pd2Au)2
Alexandria ALEXAlex-ID: agm005685833 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_295_spg15
TiPdAu Ti2Pd3Au
2023-06-29 05:32:46.935841
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685833).
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 agm005685833
data_agm005685833
_cell_length_a 4.86635
_cell_length_b 8.21539
_cell_length_c 7.70468
_cell_angle_alpha 72.00734
_cell_angle_beta 79.57595
_cell_angle_gamma 83.53404
_cell_volume 287.59635
_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 0.06907 0.94956 0.70729 1.00000
Ti2 Ti 0.39472 0.27845 0.04115 1.00000
Ti3 Ti 0.93093 0.05044 0.29271 1.00000
Ti4 Ti 0.60528 0.72155 0.95885 1.00000
Ti5 Ti 0.27950 0.37102 0.63919 1.00000
Ti6 Ti 0.72050 0.62898 0.36081 1.00000
Pd1 Pd 0.49529 0.05951 0.81309 1.00000
Pd2 Pd 0.94249 0.17038 0.92648 1.00000
Pd3 Pd 0.50471 0.94049 0.18691 1.00000
Pd4 Pd 0.05751 0.82962 0.07352 1.00000
Pd5 Pd 0.60766 0.84084 0.58845 1.00000
Pd6 Pd 0.82280 0.39642 0.14138 1.00000
Pd7 Pd 0.39234 0.15916 0.41155 1.00000
Pd8 Pd 0.17720 0.60358 0.85862 1.00000
Au1 Au 0.16136 0.72985 0.47874 1.00000
Au2 Au 0.27228 0.50666 0.25289 1.00000
Au3 Au 0.83864 0.27015 0.52126 1.00000
Au4 Au 0.72772 0.49334 0.74711 1.00000
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