Na8Zr6BBr20 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are one shorter (3.04 Å) and three long
Ba6Sm3Al(Cu2O5)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 10-coordinate g
The building unit (BU) database consists of all the unique BU extracted from the subset Computation-Ready, Experimental (CoRE) MOF 2019-ASR database. The subset of CoRE database consists of 9,268 MOF
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For
