Data for "Beyond Magic Numbers: Atomic Scale Equilibrium Nanoparticle Shapes for Any Size"
type: Dataset
distribution: Landing page for the dataset
description: This record contains ASE databases in sqlite format that contain the minimum energy structures of nanoparticles of Ag, Au, Cu, and Pd as determined in the paper "Beyond Magic Numbers: Atomic Scale Equilibrium Nanoparticle Shapes for Any Size", Rahm and Erhart, Nano Letters 17, 5775 (2017); doi: 10.1021/acs.nanolett.7b02761 The access-database.py script included in this record demonstrates how to access the databases. It requires the ASE package to be installed.
modified: 2026-03-03T00:00:00Z
issued: 2023-06-15T00:00:00Z
publisher: Chalmers University of Technology
access rights: PUBLIC
qualified attribution: Attribution
  had role: principalInvestigator
  agent: Rahm, J. Magnus
    type: Agent
    account: https://orcid.org/0000-0002-6777-0371
    type: PrivateIndividual(s)
qualified attribution: Attribution
  had role: principalInvestigator
  agent: Erhart, Paul
    type: Agent
    account: https://orcid.org/0000-0002-2516-6061
    type: PrivateIndividual(s)
keyword: Nanoparticles
keyword: Wulff construction
keyword: Atomic scale simulations

Landing page for the dataset
type: Distribution
title: Landningssida för datasetet @sv
access URL: Data for "Beyond Magic Numbers: Atomic Scale Equilibrium Nanoparticle Shapes for Any Size"
availability: stable

Chalmers University of Technology
type: Agent
name: Chalmers tekniska högskola @sv
type: Academia-ScientificOrganisation
source: 040wg7k59