I am doing some work using LAMMPS to calculate the cohesive energy of various silicates. I notice when I do albite I am getting a much lower cohesive energy than expected so I am looking for some kind of a comparison.
Does materials project have the cohesive energy of albite listed? I see final energy/atom, but am not sure if this is the cohesive energy? Further, should cohesive energy be for the mineral (all atoms in the system), or for each individual atom type in the system. For example, the cohesive energy of Na in albite is …
If anyone has DFT data or materials project data for the cohesive energy of albite it would be much appreciated.