Structural and Electronic Properties of Double Wall MoSTe Nanotubes

<p><i>The data set contains all the relaxed structures in CONTCAR files and can be visualized with VESTA which is an open access program and can be downloaded online</i> <a href="https://jp-minerals.org/vesta/en/" target="_blank"><i>https://jp-minerals.org/vesta/en/</i></a><i>. The related calculated total energy and input set parameters could be seen in the OUTCAR files.</i></p><p><i>And the band structure pdos can be obtained from vasprun by p4vasp</i></p>