2020-08-20 Database V2020.08.20 Released
In this release we have added thousands of new band structure and density of states calculations, improving our overall material coverage and data quality. Additionally, we have overhauled the plotting for these quantities on the material details page. This is a first step in improving the electronic structure data within the Materials Project as part of our new tool set for band structure calculations.
We are also working through an on-going issue affecting the energies of a small number of materials. In the previous release, we added a large batch of higher-quality calculations for our energetics as well as fixing numerous bugs. However, we discovered an error in our calculation parameters leading to larger energies than expected for a minority of materials and issues such as those discussed here. We are currently re-running these calculations and will be fixing this data in a supplemental update in the next few weeks. We advise anybody performing large screening studies to do so with caution or wait until this supplemental update has been released.