PdPt3Rh
Alexandria ALEXAlex-ID: agm003705170 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_182_spg63
PtRh6 Pd2Pt3 PdPt4
2022-04-17 03:04:08.433968
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003705170).
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 agm003705170
data_agm003705170
_cell_length_a 5.16576
_cell_length_b 4.92491
_cell_length_c 7.12943
_cell_angle_alpha 90.00000
_cell_angle_beta 111.24056
_cell_angle_gamma 90.00000
_cell_volume 169.05743
_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 0.56865 0.25000 0.13729 1.00000
Pd2 Pd 0.43135 0.75000 0.86271 1.00000
Pt1 Pt 0.09670 0.25000 0.68959 1.00000
Pt2 Pt 0.59290 0.25000 0.68959 1.00000
Pt3 Pt 0.40710 0.75000 0.31041 1.00000
Pt4 Pt 0.90330 0.75000 0.31041 1.00000
Pt5 Pt 0.00000 0.00000 0.00000 1.00000
Pt6 Pt 0.00000 0.50000 0.00000 1.00000
Rh1 Rh 0.17719 0.25000 0.35439 1.00000
Rh2 Rh 0.82281 0.75000 0.64561 1.00000
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