MOFSimplify

The Kulik Group at MIT
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Associated paper available here

1) Select a MOF (metal-organic framework) for analysis

Uploaded cif file must have P1 symmetry (all atom positions explicitly indicated) and be disorder free and without floating solvent

May MOFSimplify store information on your MOFs?

2) Predict properties of the selected MOF

Temperature (K)

Pressure (kPa)

3) Download descriptors of the selected MOF

Status messages and MOF predictions

Choose the default MOF HKUST-1 or any CoRE MOF.

Example MOF options