cMOF Evidence Base
Diffraction Structure — Machine Learning-Based Prediction of Proton Conductivity in Metal-Organic Frameworks

Measurement evidence

Diffraction Structure

Machine Learning-Based Prediction of Proton Conductivity in Metal-Organic Frameworks · Han S., Lee B.G., Lim D.-W. et al. · Chemistry of Materials · 2024 · 11280-11287

1 measurement group · 2 results

Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.

CSD CIF collection, disorder filtering, solvent removal, mofchecker screening, Materials Studio recovery/optimisation

curated 248-CIF proton-conductive MOF model/data set · Model

Interatomic distances less than 0.6 A were treated as disordered; ordered structures had free solvent removed and under/overcoordinated atoms checked.

Context
model_system
Measurement source
11281 · Data Extraction and Curation · Figure 1b
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
database CIF count248 CIF files——Text
Exact Reported		11282 · Data Extraction and Curation
structures with dimensionality classification248 MOF structures——Caption
Exact Reported		S-3 · Supporting Information · Figure S1