Cartesian coordinates of optimized structures

AIP Publishing 2026 Dataset Open access

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Authors: Felix Neumann, Johannes Margraf, Emanuele Telari, Karsten Reuter, Albert Bruix
DOI: 10.60893/figshare.jcp.31111729
Cited by: 0

Abstract

The minimum energy structures for all stoichiometries of the minimum energy hulls of the PtAu nanoparticles with 135, 140, 145, and 150 atoms.

Fields of Study & Subjects

Machine Learning in Materials Science Advanced Chemical Physics Studies nanoparticles nucleation surface interactions

Publication details

Journal / source
AIP Publishing
Publication date
1 January 2026
Language
EN
Document type
Dataset