10.60732/f2d6e02c

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GST_GAP_22_main Dataset

Yuxing Zhou, Wei Zhang, Evan Ma, Volker L. Deringer,
The main training dataset for GST_GAP_22, calculated using the PBEsol functional. GST-GAP-22 contains configurations of phase-change materials on the quasi-binary GeTe-Sb2Te3 (GST) line of chemical compositions. Data was used for training a machine learning interatomic potential to simulate a range of germanium-antimony-tellurium compositions under realistic device conditions.

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