Pd2Pt8Rh3
Alexandria ALEXAlex-ID: agm005628232 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_598_spg12
PtRh6 Pd2Pt3 PdPt4
2023-06-16 07:24:45.063492
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005628232).
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 agm005628232
data_agm005628232
_cell_length_a 9.04947
_cell_length_b 5.37517
_cell_length_c 5.36609
_cell_angle_alpha 120.05582
_cell_angle_beta 91.60579
_cell_angle_gamma 90.00081
_cell_volume 225.80414
_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 0.49476 0.70891 0.41785 1.00000
Pd2 Pd 0.50524 0.29109 0.58215 1.00000
Pt1 Pt 0.78658 0.36876 0.73752 1.00000
Pt2 Pt 0.21342 0.63124 0.26248 1.00000
Pt3 Pt 0.76973 0.86810 0.73620 1.00000
Pt4 Pt 0.23027 0.13190 0.26380 1.00000
Pt5 Pt 0.74116 0.36924 0.24012 1.00000
Pt6 Pt 0.74115 0.87088 0.24012 1.00000
Pt7 Pt 0.25885 0.12912 0.75988 1.00000
Pt8 Pt 0.25884 0.63076 0.75988 1.00000
Rh1 Rh 0.50000 0.00000 0.00000 1.00000
Rh2 Rh 1.00000 0.75487 0.00000 1.00000
Rh3 Rh 0.00000 0.24513 1.00000 1.00000
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