0200400600800100000.10.20.30.40.50.60.7
A4--C--dcA7--alpha-Asoqmd-589492oqmd-589493oqmd-590101oqmd-599489oqmd-599491oqmd-603085oqmd-637130oqmd-637352oqmd-683819oqmd-684315Phonon/QHA PredictionsTemperature (K)ΔGibbs (eV/atom)