Property Analysis Hub

Calculate advanced material properties from structural data. Upload structures or use retrieved materials to compute electronic, mechanical, and thermodynamic characteristics.

What is Property Analysis?

The Analysis module computes detailed material properties from structural data using advanced computational methods. Upload your own structures or analyze materials retrieved from databases:

Electronic Properties: Band gaps, density of states, Fermi energy for semiconductors and conductors
Mechanical Properties: Elastic constants, bulk modulus, hardness predictions
Thermodynamic Properties: Formation energy, phase stability, decomposition pathways
Structure Analysis: Symmetry operations, bonding characteristics, coordination environments

Crystals

Upload CIF files to calculate band structure, density of states, formation energy, and other crystalline properties

Polymers

Analyze polymer chains from SMILES to predict glass transition temperature, electronic properties, and stability

Systems

Compute phase diagrams, reaction energetics, and volatility analysis for multi-component chemical systems

Proteins