A comprehensive DFT data set was generated for six elements - Li, Mo, Ni, Cu, Si, and Ge. These elements were chosen to span a variety of chemistries (main group metal, transition metal, and semicondu
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
The spinel structured violarite (FeNi2S4) is a ternary transition metal sulfide with an intermediate composition within the solid solution formed between Ni3S4 and greigite (Fe3S4) as end members. FeN
