  A generic method to estimate the relative feasibility of formation of high
entropy compounds in a single phase, directly from first principles, is
developed. As a first step, the relative formation abilities of 56
multi-component, AO, oxides were evaluated. These were constructed from 5
cation combinations chosen from A={Ca, Co, Cu, Fe, Mg, Mn, Ni, Zn}. Candidates
for multi-component oxides are predicted from descriptors related to the
enthalpy and configurational entropy obtained from the mixing enthalpies of two
component oxides. The utility of this approach is evaluated by comparing the
predicted combinations with the experimentally realized entropy stabilized
oxide, (MgCoCuNiZn)O. In the second step, Monte Carlo simulations are utilized
to investigate the phase composition and local ionic segregation as a function
of temperature. This approach allows for the evaluation of potential secondary
phases, thereby making realistic predictions of novel multi-component compounds
that can be synthesized.
