Published September 12, 2024 | Version v3
Dataset Open

Data for Exploring Inhomogeneous Surfaces: Ti-rich SrTiO3(110) Reconstructions via Active Learning

Authors/Creators

  • 1. Institute of Materials Chemistry, TU Wien, A-1060 Vienna, Austria
  • 2. Institute of Applied Physics, TU Wien, A-1040 Wien, Austria
  • 3. Instituto de Nanociencia y Materiales de Arag´on, CSIC-Universidad de Zaragoza, 50009 Zaragoza, Spain

Description

The archive "supplementary_data.tar.gz" contains structures, training data, training scripts, models and an evolution script obtained and reported in the study:
"Exploring Inhomogeneous Surfaces: Ti-rich SrTiO3(110) Reconstructions via Active Learning".

See README for more information on the archive content.

Files

supplementary_data.zip

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Additional details

Funding

FWF Austrian Science Fund
Taming Complexity in Materials Modeling 10.55776/F81
Agencia Estatal de Investigación
Centros de Excelencia "Severo Ochoa" CEX2023-001286-S