Pt6Rh
Alexandria ALEXAlex-ID: agm015474598 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6_50_spg166
Pt3Rh2 Pt
2025-06-27 19:46:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015474598).
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
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# CIF generated by HEAS from Alexandria entry agm015474598
data_agm015474598
_cell_length_a 15.80529
_cell_length_b 15.80529
_cell_length_c 15.80529
_cell_angle_alpha 10.29863
_cell_angle_beta 10.29863
_cell_angle_gamma 10.29863
_cell_volume 109.58155
_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
Pt1 Pt 0.80916 0.80916 0.80916 1.00000
Pt2 Pt 0.19084 0.19084 0.19084 1.00000
Pt3 Pt 0.62027 0.62027 0.62027 1.00000
Pt4 Pt 0.90534 0.90534 0.90534 1.00000
Pt5 Pt 0.37973 0.37973 0.37973 1.00000
Pt6 Pt 0.09466 0.09466 0.09466 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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