“…The recent creation of large, publicly accessible databases of DFT-calculated inorganic materials such as the Materials Project [492], OQMD [493], [494], AiiDA [495], AFLOW [496], the Computational Materials Repository [497] and others made larger materials discovery efforts possible for the first time, being able to consider tens of thousands of materials at a sufficiently advanced level of DFT accuracy to predict material properties in silico. The first screening to utilize such databases for CO2 capture was that of Dunstan et al [498], where Apart from theoretical databases, there are also many experimental data repositories such as the NIST-JANAF thermochemical tables [500], NASA Glenn Research Center [501] or Barin and Knacke's tables [502], or commercial software packages [503], [504] to use as the basis for determining promising candidate materials for CO2 capture. Usually, these databases give very similar results, but in specific cases, such as for the MgO-MgCO3 system, can differ significantly (Section 2.1).…”