Phase diagram of NbFe2B; eabovehull: 1.354655 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -93.3809 eV; energy change = -43.6898 eV; symmetry: I4/mmm → I4/mmm
Crystal structure generated by TreeQuest optimization (file 14)
Crystal structure generated by TreeQuest optimization (file 13)
Phase diagram of MnFe2Co2B; eabovehull: 1.001030 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -168.5596 eV; energy change = -693.3423 eV; symmetry: I4_1/amd → P1
Crystal structure generated by TreeQuest optimization (file 12)
Phase diagram of Fe; eabovehull: 0.865877 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -30.2675 eV; energy change = -0.4195 eV; symmetry: Pnma → Pnma
Crystal structure generated by TreeQuest optimization (file 11)
Crystal structure generated by TreeQuest optimization (file 10)
Crystal structure generated by TreeQuest optimization (file 9)
Phase diagram of TiFe2Co; eabovehull: 0.814445 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -118.3900 eV; energy change = 0.0000 eV; symmetry: Cmmm → Cmmm
Crystal structure generated by TreeQuest optimization (file 8)
Phase diagram of MnFeCo; eabovehull: 0.422177 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -94.2822 eV; energy change = -50.0229 eV; symmetry: Pnma → Pm
Crystal structure generated by TreeQuest optimization (file 7)
Crystal structure generated by TreeQuest optimization (file 6)
Phase diagram of FeCo2Si2B; eabovehull: 0.401651 eV/atom; predicted_stable: False