“…The interstitial volume was calculated through the methods in our previous research. 16 And the lattice stress was calculated via eqn (1) : 26,27 S L = − B × (Δ V / V ) where S L , B and V were the lattice stress, bulk modulus and bulk volume of SiO 2 phases, Δ V was the bulk volume changes between SiO 2 phases. The formation energy was calculated via eqn (2) : 28 E f = E tol − aE Si − bE O − cE Ti − dE Al − eE Li − fE H where E f was the formation energy, E tol was the total energy of SiO 2 phase, a , b , c , d , e and f were the numbers of Si, O, Ti, Al, Li and H atoms in SiO 2 phase, respectively.…”