Pd(PtRh3)2
Alexandria ALEXAlex-ID: agm003496901 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_636_spg71
PtRh6 Pd2Pt3 Pd3Pt2
2022-03-10 15:22:35.566588
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003496901).
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 agm003496901
data_agm003496901
_cell_length_a 2.72527
_cell_length_b 7.79702
_cell_length_c 7.79702
_cell_angle_alpha 56.50994
_cell_angle_beta 79.90095
_cell_angle_gamma 79.90095
_cell_volume 135.40764
_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
Pd1 Pd 0.00026 1.00000 1.00000 1.00000
Pt1 Pt 0.15025 0.34992 0.34992 1.00000
Pt2 Pt 0.84990 0.65008 0.65008 1.00000
Rh1 Rh 0.32615 0.99980 0.34815 1.00000
Rh2 Rh 0.67340 0.00021 0.65185 1.00000
Rh3 Rh 0.67340 0.65185 0.00021 1.00000
Rh4 Rh 0.50024 0.32109 0.67891 1.00000
Rh5 Rh 0.50024 0.67891 0.32109 1.00000
Rh6 Rh 0.32615 0.34815 0.99980 1.00000
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