Uploaded cif file must be disorder free and without floating solvent
May MOFSimplify store information on your MOFs?
Nearest neighbors come from the pool of training data (i.e. CoRE MOFs) used to train an ANN.
In order to generate the simplified TGA plot, four points on the experimental TGA plot are chosen. These points represent two lines of different slope on the TGA plot. The two lines are extrapolated until they intersect, and the point of intersection is taken to be the breakdown temperature.
Special thanks to the Koes and Snurr groups for developing visualization code.
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