PaPdPt3
Alexandria ALEXAlex-ID: agm005773680 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5366_spg12
Pa2(PdPt)5 PaPdPt4 PaPt3
2023-07-05 10:46:19.944073
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773680).
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 agm005773680
data_agm005773680
_cell_length_a 5.78989
_cell_length_b 8.03137
_cell_length_c 8.03068
_cell_angle_alpha 149.28650
_cell_angle_beta 110.74124
_cell_angle_gamma 69.25855
_cell_volume 177.40025
_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
Pa1 Pa 0.63906 0.61337 0.38664 1.00000
Pa2 Pa 0.36094 0.38664 0.61336 1.00000
Pd1 Pd 0.82744 0.19260 0.80739 1.00000
Pd2 Pd 0.17256 0.80740 0.19262 1.00000
Pt1 Pt 0.84436 0.40573 0.59429 1.00000
Pt2 Pt 0.70031 0.80883 0.19115 1.00000
Pt3 Pt 0.29970 0.19117 0.80885 1.00000
Pt4 Pt 0.15564 0.59427 0.40571 1.00000
Pt5 Pt 0.99999 1.00000 0.99999 1.00000
Pt6 Pt 0.50000 1.00000 1.00000 1.00000
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