Dear treasured colleagues,
In the Phase Diagram app, if I search the Si-O system, the SiO2 structure that is along the GGA/GGA+U convex hull is mp-546794 (with formation energy -3.035 eV/atom). However, the SiO2 structure that has the lowest energy above hull in the Materials Explorer is mp-7000. This kind of difference occurs for several materials (e.g. O2 in the same Si-O system).
What is the underlying reason for this difference? I am assuming that the energy above hull presented in both the Materials Explorer and Phase Diagram apps both are using oxide corrections. Is it some subtlety with the r2SCAN mixing scheme even though I am not looking at the mixed phase diagram?