Cu2Pd3Pt2
Alexandria ALEXAlex-ID: agm003304560 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_210_spg12
CuPd2Pt CuPt
2022-01-23 07:55:34.987453
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003304560).
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 agm003304560
data_agm003304560
_cell_length_a 2.69882
_cell_length_b 6.53863
_cell_length_c 6.95887
_cell_angle_alpha 119.17142
_cell_angle_beta 101.18118
_cell_angle_gamma 90.00000
_cell_volume 104.54731
_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 0.56093 0.90169 0.12185 1.00000
Cu2 Cu 0.43907 0.09831 0.87815 1.00000
Pd1 Pd 0.00000 0.50000 0.00000 1.00000
Pd2 Pd 0.21729 0.79735 0.43459 1.00000
Pd3 Pd 0.78271 0.20265 0.56541 1.00000
Pt1 Pt 0.85899 0.68082 0.71798 1.00000
Pt2 Pt 0.14101 0.31918 0.28202 1.00000
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