I've been working on this material to get more accustomed to Quantum Espresso, and I've gone on and performed calculations to get their band structures. Here are the band structures that I got for two of the variations of my material:
Used EV-GGA to get these band structures, I could have used others, but I'm just curious as to what these particular band structures imply. As you can see, for the first one, the Fermi level has crossed into the valence band while for the second one the Fermi level is in the conduction band. Do these both imply metallic nature? These are undoped materials, can doping possibly cause the Fermi levels to move accordingly and make these materials semiconductors? Thank you everyone for your help.