OQMD

OQMD (Open Quantum Materials Database) is an open database that comprehensively compiles large-scale materials data based on first-principles calculations, and it is widely used as a foundation for novel materials discovery, thermodynamic stability analysis, and data-driven materials design. Developed by Northwestern University and Argonne National Laboratory, it provides high-accuracy DFT-calculated data for real and hypothetical materials, including optimized structures, formation energies, band gaps, and magnetic properties. In particular, it features stability evaluations based on formation energies and convex hull analysis, making it effective for predicting the synthesizability of materials. Furthermore, it supports data access through an API and is compatible with machine learning applications, establishing itself as a key information resource in computational materials science and materials informatics.