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

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

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