Research Article

Prediction of a New Phase of CuxS near Stoichiometric Composition

Table 2

Cohesive energies of selected low-energy stoichiometric Cu2S structures are listed.

Structure nameCohesive energy per formula unit (eV)

Acanthite−10.653
Material project −10.638
Low chalcocite−10.637
Stromeyerite−10.631
AF-Cu2S−10.379
Berzelianite−9.995