Pt4RhPb8
Alexandria ALEXAlex-ID: agm097724401 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_158_spg12
PtPb2 Pt2Pb3 Rh5Pb7
2025-06-22 12:07:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097724401).
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 agm097724401
data_agm097724401
_cell_length_a 5.87981
_cell_length_b 8.11155
_cell_length_c 8.11173
_cell_angle_alpha 119.99955
_cell_angle_beta 89.99990
_cell_angle_gamma 90.00049
_cell_volume 335.05308
_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 0.00000 0.00015 0.00004 1.00000
Pt2 Pt 0.00005 0.99991 0.49996 1.00000
Pt3 Pt 0.99998 0.49997 0.99998 1.00000
Pt4 Pt 0.99996 0.49995 0.50001 1.00000
Rh1 Rh 0.50000 0.00003 0.00001 1.00000
Pb1 Pb 0.26723 0.17239 0.34483 1.00000
Pb2 Pb 0.26727 0.17242 0.82754 1.00000
Pb3 Pb 0.27120 0.66655 0.33330 1.00000
Pb4 Pb 0.26710 0.65528 0.82764 1.00000
Pb5 Pb 0.73269 0.34491 0.17246 1.00000
Pb6 Pb 0.72880 0.33322 0.66664 1.00000
Pb7 Pb 0.73287 0.82762 0.17236 1.00000
Pb8 Pb 0.73283 0.82759 0.65522 1.00000
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