Cu3(PdPt2)2
Alexandria ALEXAlex-ID: agm005641908 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_696_spg12
CuPd2Pt Pd3Pt2 CuPt
2023-06-26 23:18:46.784650
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641908).
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 agm005641908
data_agm005641908
_cell_length_a 2.72303
_cell_length_b 6.52009
_cell_length_c 7.69096
_cell_angle_alpha 97.16242
_cell_angle_beta 100.19669
_cell_angle_gamma 90.00000
_cell_volume 133.30893
_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
Cu1 Cu 0.10587 0.36903 0.21174 1.00000
Cu2 Cu 0.89413 0.63097 0.78826 1.00000
Cu3 Cu 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.66386 0.04480 0.32772 1.00000
Pd2 Pd 0.33614 0.95520 0.67228 1.00000
Pt1 Pt 0.54623 0.69137 0.09246 1.00000
Pt2 Pt 0.27953 0.34164 0.55907 1.00000
Pt3 Pt 0.45377 0.30863 0.90754 1.00000
Pt4 Pt 0.72047 0.65836 0.44093 1.00000
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