About Mol2Mat
Chemical reactions, materials databases and scientific analysis tools, with linked sources and reproducible calculations.
Mol2Mat connects chemical synthesis with material structure and properties. Search reaction records and materials databases, compare source data, and analyse measurements with scientific tools.
Search and analysis
Reactions
Reaction records, synthesis routes and transformation maps; reagents, conditions, products and literature references.
Tools
Measurement uncertainty, fitting, mechanics, diffusion, phase equilibria and optical response; plots, numerical results and data exports.
Materials
Crystal structures, optical, thermal and elastic properties; source records alongside polymer and semiconductor examples.
Compounds
Names, molecular structures, formulae and identifiers, with PubChem lookup.
Data sources
PubChem
Compound structures and identifiers
Open Reaction Database
Experimental reactions and reported conditions
Rhea
Biochemical equations and enzyme associations
NIST Ceramic Data Portal
Ceramic elastic properties and literature tables
NIST Cryogenic Materials Properties
Thermal-property and expansion correlations
refractiveindex.info
Optical constants and dispersion models
Crystallography Open Database
Published crystal structures
Alexandria PBE
Computed crystal structures and energies
NIST JARVIS-DFT
Computed bulk and two-dimensional materials
AFLOW AEL
Computed elastic tensors and moduli
Evidence and citation
Records retain source identifiers, references and reported conditions. Experimental measurements, digitised values, fitted correlations and computed properties carry their own labels. Comparisons use the selected samples and conditions; calculations show their inputs, units and model assumptions.
Cite the original database record or publication, including its identifier and access date. For a calculation performed here, also record the Mol2Mat page, input data and selected model; export the results where available.
Local preferences
Scientific and display preferences are stored in this browser. Research workspaces and comparisons have separate save and export controls. No account is required.
Developer and contact
Mol2Mat is a free project designed and developed by Felix Fei, bringing his interests in organic synthesis and materials science into a shared search and analysis workspace.