  Recently, there have been significant advancements in the study of
Metal-Organic Frameworks (MOFs), particularly in the discovery of glassy states
in zeolitic imidazolate frameworks (ZIFs), a subset of MOFs. However, the
correlation between the glass-forming ability (GFA) of MOFs and their
structural characteristics remains poorly understood. To address this gap, we
analyze over 20,000 MOFs from the QMOF database, comparing geometric and
electronic order parameters between ZIFs and other MOFs. Our findings reveal a
set of order parameters that effectively capture the thermal stability and GFA
of MOFs, acting as structural genes to predict glass formation. Through
molecular dynamics simulations on representative ZIF structures, we validate
the reliability of these order parameters, particularly the total bond-order
density (TBOD) and the largest cavity diameter (LCD), for screening potential
melt-quenched MOFs. Furthermore, we predict that external pressure and electric
fields can control the TBOD of MOFs, expanding our understanding of their
thermal stability. This work identifies structural genes associated with the
melt stability of MOFs,and contributes valuable insights into the prediction
and understanding of MOF glass-forming ability.
