Version of · via Relax a crystal structure
Fe6Ni2B_714
Expand a crystal structure into a supercell
Calculate energy above the convex hull
Calculate phonon dispersion and band structure
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -136.7751 eV; energy change = -4.1985 eV; symmetry: I4/mmm → I4/mmm