MatCraft aggregates materials data from three major open databases:
The largest source in MatCraft, providing ~150,000 materials computed with DFT using the PBE functional with Hubbard U corrections for transition metals. MP data includes crystal structures, formation energies, band gaps, elastic properties, and electronic structure (band structure and DOS).
The Automatic FLOW repository contributes ~60,000 additional materials. AFLOW uses similar DFT methods (PBE) but with different pseudopotentials and convergence settings. AFLOW provides thermodynamic, electronic, and mechanical properties.
The Joint Automated Repository for Various Integrated Simulations adds ~40,000 materials computed with the OptB88vdW functional, which better captures van der Waals interactions. JARVIS data includes band gaps (both OPT and MBJ functionals), elastic constants, and solar efficiency estimates.
Each material in MatCraft is tagged with its source so you can filter by database when comparing properties.