Ti3Pd5
Alexandria ALEXAlex-ID: agm009203097 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_39_spg71
Ti3Pd5
2024-03-08 12:25:51.662743
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009203097).
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
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# CIF generated by HEAS from Alexandria entry agm009203097
data_agm009203097
_cell_length_a 8.71404
_cell_length_b 8.71404
_cell_length_c 8.71404
_cell_angle_alpha 155.52204
_cell_angle_beta 152.93629
_cell_angle_gamma 36.81047
_cell_volume 124.57162
_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 0.86334 0.86334 0.00000 1.00000
Ti2 Ti 0.50000 0.00000 0.50000 1.00000
Ti3 Ti 0.13666 0.13666 0.00000 1.00000
Pd1 Pd 0.74973 0.24973 0.50000 1.00000
Pd2 Pd 0.25027 0.75027 0.50000 1.00000
Pd3 Pd 0.38224 0.38224 0.00000 1.00000
Pd4 Pd 0.61776 0.61776 0.00000 1.00000
Pd5 Pd 0.00000 0.50000 0.50000 1.00000
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