Zn3(Pd2Pt)2
Alexandria ALEXAlex-ID: agm005672015 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1372_spg2
Zn5PdPt6 ZnPt3 ZnPd2
2023-06-29 08:16:15.306548
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672015).
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 agm005672015
data_agm005672015
_cell_length_a 5.91631
_cell_length_b 7.41960
_cell_length_c 6.76945
_cell_angle_alpha 74.48860
_cell_angle_beta 70.99632
_cell_angle_gamma 91.93948
_cell_volume 268.33170
_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
Zn1 Zn 0.13604 0.03573 0.26479 1.00000
Zn2 Zn 0.47225 0.69997 0.93393 1.00000
Zn3 Zn 0.86396 0.96427 0.73521 1.00000
Zn4 Zn 0.52775 0.30003 0.06607 1.00000
Zn5 Zn 0.19650 0.63067 0.40026 1.00000
Zn6 Zn 0.80350 0.36933 0.59974 1.00000
Pd1 Pd 0.56445 0.90623 0.17190 1.00000
Pd2 Pd 0.04134 0.80718 0.05676 1.00000
Pd3 Pd 0.43555 0.09377 0.82810 1.00000
Pd4 Pd 0.95866 0.19282 0.94324 1.00000
Pd5 Pd 0.23249 0.23980 0.50604 1.00000
Pd6 Pd 0.37047 0.47539 0.72458 1.00000
Pd7 Pd 0.76751 0.76020 0.49396 1.00000
Pd8 Pd 0.62953 0.52461 0.27542 1.00000
Pt1 Pt 0.70161 0.13827 0.39365 1.00000
Pt2 Pt 0.90233 0.57587 0.83627 1.00000
Pt3 Pt 0.29839 0.86173 0.60635 1.00000
Pt4 Pt 0.09767 0.42413 0.16373 1.00000
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