Dataset

TiZrHfTa_APS2021


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Name TiZrHfTa_APS2021
Extended ID TiZrHfTa_APS2021_GubaevIkedaTasnadiNeugebauerShapeevGrabowskiKormann__DS_ves6w5s1957e_0
Description A dataset used to train machine-learning interatomic potentials (moment tensor potentials) for multicomponent alloys to ab initio data in order to investigate the disordered body-centered cubic (bcc) TiZrHfTax system with varying Ta concentration.
Authors Konstantin Gubaev
Yuji Ikeda
Ferenc Tasnádi
Jörg Neugebauer
Alexander V. Shapeev
Blazej Grabowski
Fritz Körmann
Elements Hf (25.25%)
Ta (24.27%)
Ti (25.23%)
Zr (25.25%)
Number of Data Objects 3,622
Number of Configurations 3,622
Number of Atoms 223,930
Links https://doi.org/10.1103/PhysRevMaterials.5.073801
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects
ColabFit ID DS_ves6w5s1957e_0
Files colabfitspec.json

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