Version of · via Relax a crystal structure
Mn2GaFe (Pm)
Calculate energy above the convex hull
Calculate phonon dispersion and band structure
Create an interstitially doped structure
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.8719 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm