The heat of formation of ye'elimite Ca4Al6O12.SO4 was calculated using density functional theory (DFT). The crystallographic ground state of ye'elimite is the orthorhombic Pcc2 modification in agre... Click to show full abstract
The heat of formation of ye'elimite Ca4Al6O12.SO4 was calculated using density functional theory (DFT). The crystallographic ground state of ye'elimite is the orthorhombic Pcc2 modification in agre...
               
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