Pt4Pb5
Alexandria ALEXAlex-ID: agm005502863 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_4_spg139
Pt2Pb3 PtPb
2023-03-19 14:52:15.880239
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005502863).
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 agm005502863
data_agm005502863
_cell_length_a 6.87170
_cell_length_b 6.87170
_cell_length_c 6.87170
_cell_angle_alpha 97.66517
_cell_angle_beta 97.66517
_cell_angle_gamma 137.15808
_cell_volume 205.40011
_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 0.34957 0.34957 1.00000
Pt2 Pt 0.00000 0.65043 0.65043 1.00000
Pt3 Pt 0.34957 0.00000 0.34957 1.00000
Pt4 Pt 0.65043 0.00000 0.65043 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Pb2 Pb 0.32075 0.32075 0.64150 1.00000
Pb3 Pb 0.32075 0.67925 0.00000 1.00000
Pb4 Pb 0.67925 0.32075 0.00000 1.00000
Pb5 Pb 0.67925 0.67925 0.35850 1.00000
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