Phase stability of entropy stabilized oxides with the α-PbO2 structure

Abstract The prediction of new high entropy oxides (HEOs) remains a profound challenge due to their inherent chemical complexity. In this work, we combine experimental and computational methods search for HEOs in the tetravalent A O 2 family, using exclusively d 0 10 cations. Our aim is explain phase stability α -PbO structure, which found medium oxide (Ti, Zr, Hf, Sn)O . Using pairwise approach approximate mixing enthalpy, confirm that expected lowest energy structure material above other candidates including rutile, baddeleyite, fluorite structures. We also show no five-component compound composed cations considered here form under solid state synthesis conditions, verify experimentally. Ultimately, conclude flexible geometry can be used understand its among HEOs.