The bedrock of the MP database is an extensive library of about 150,000 DFT-relaxed structures with corresponding thermodynamic and electronic properties. To generate these structures, two sets of workflows were developed in atomate to relax an input structure and obtain its total energy: one for PBE and PBE+U 56 and one for r 2 SCAN. The PBE/+U workflow has been used since the inception of MP, whereas the r 2 SCAN workflow was more recently introduced 131 and used to study the properties of about 33,000 materials in MP.