Cu5(PdPt)2
Alexandria ALEXAlex-ID: agm003313232 · Space group: P-6m2 (#187)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_200_spg38
Cu2Pd Cu2PdPt CuPt
2022-01-19 20:01:21.881446
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003313232).
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 agm003313232
data_agm003313232
_cell_length_a 4.32114
_cell_length_b 7.45397
_cell_length_c 8.88361
_cell_angle_alpha 114.80522
_cell_angle_beta 104.07598
_cell_angle_gamma 90.00000
_cell_volume 250.24207
_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 0.41890 0.62239 0.83854 1.00000
Cu2 Cu 0.58110 0.78385 0.16146 1.00000
Cu3 Cu 0.91964 0.12239 0.83854 1.00000
Cu4 Cu 0.08036 0.28385 0.16146 1.00000
Cu5 Cu 0.16842 0.03988 0.33776 1.00000
Cu6 Cu 0.83158 0.70212 0.66224 1.00000
Cu7 Cu 0.66934 0.53988 0.33776 1.00000
Cu8 Cu 0.33066 0.20212 0.66224 1.00000
Cu9 Cu 0.24904 0.78867 0.50000 1.00000
Cu10 Cu 0.75096 0.28867 0.50000 1.00000
Pd1 Pd 0.00000 0.87053 0.00000 1.00000
Pd2 Pd 0.50000 0.37053 0.00000 1.00000
Pd3 Pd 0.25104 0.45481 0.50000 1.00000
Pd4 Pd 0.74896 0.95481 0.50000 1.00000
Pt1 Pt 0.09009 0.62655 0.17935 1.00000
Pt2 Pt 0.90991 0.44720 0.82064 1.00000
Pt3 Pt 0.58926 0.12655 0.17935 1.00000
Pt4 Pt 0.41074 0.94720 0.82065 1.00000
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