Subsolidus phase relations in the CaCo3-MgCO3 system predicted from the excess enthalpies of supercell structures with single and double defects

Static lattice energy calculations of mixing and ordering enthalpy in binary carbonate solid solutions

Thermodynamics of mixing in pyrope-grossular Mg3Al2Si3O12-Ca3Al2Si3O12 solid solution from lattice dynamics calculation and Monte Carlo simulations