Pd3Pt
Alexandria ALEXAlex-ID: agm014647635 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_5401_spg2
Pd3Pt2 Pd
2024-11-13 08:35:56.222779
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014647635).
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 agm014647635
data_agm014647635
_cell_length_a 4.84321
_cell_length_b 6.24506
_cell_length_c 6.82643
_cell_angle_alpha 111.08401
_cell_angle_beta 89.96006
_cell_angle_gamma 105.06174
_cell_volume 185.04334
_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
Pd1 Pd 0.33251 0.50084 0.33299 1.00000
Pd2 Pd 0.58182 0.75053 0.08295 1.00000
Pd3 Pd 0.16718 0.00062 0.16591 1.00000
Pd4 Pd 0.83282 0.99938 0.83409 1.00000
Pd5 Pd 0.41818 0.24947 0.91705 1.00000
Pd6 Pd 0.08363 0.25074 0.58336 1.00000
Pd7 Pd 0.91637 0.74926 0.41664 1.00000
Pd8 Pd 0.66749 0.49916 0.66701 1.00000
Pd9 Pd 0.00000 0.50000 0.00000 1.00000
Pt1 Pt 0.74853 0.24877 0.25139 1.00000
Pt2 Pt 0.25147 0.75123 0.74861 1.00000
Pt3 Pt 0.50000 0.00000 0.50000 1.00000
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