Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -73.1272 eV; energy change = -9.2003 eV; symmetry: I4/mcm → P1
Crystal structure generated by TreeQuest optimization (file 13)
Phase diagram of TiFeSiB2; e_above_hull: 0.547322 eV/atom; predicted_stable: False