For a DFT-calculated dilute solute diffusion database, click here.
Equation is D=D0 host, experimental * e(-Qsolute/kT) Where Qsolute = Qhost, experimental + dQprediction method
To use: select generation algorithm, then select which hosts/solutes this algorithm is to be applied to. Then press the Submit button to fill in the values necessary for graphing. After filling in, checking host-solute combinations will reveal the graph.
Robustness is given as "Low", "Medium", or "High", depending on how reliable the prediction is expected to be. Transition-metal solutes and previously-calculated hosts have higher robustness scores.