Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -90.1939 eV; energy change = -181.3961 eV; symmetry: P4/mmm → P4/mmm
Fe8Co4B2C (space group: P4/mmm #123)
Phase diagram of GaFe8Co2BN; eabovehull: 0.656188 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -189.5347 eV; energy change = -62.7348 eV; symmetry: P4/mmm → P1
Fe16Co4B2Ga2N2 (space group: P4/mmm #123)
Phase diagram of AlFe8Co2B; eabovehull: 1.850203 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -144.7107 eV; energy change = -25.8104 eV; symmetry: I4/mmm → I4/mmm
Fe16Co4B2Al2 (space group: I4/mmm #139)
Phase diagram of GaFe12Co5B2N; eabovehull: 0.717122 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -151.5359 eV; energy change = -253.5870 eV; symmetry: P4/mmm → P1
Fe12Co5B2GaN (space group: P4/mmm #123)
Phase diagram of Fe8Co4B2CN2; eabovehull: 1.073699 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -122.7728 eV; energy change = -68.2397 eV; symmetry: P4mm → P1
Fe8Co4B2N2C (space group: P4mm #99)
Phase diagram of Fe8Co4B2C; eabovehull: 1.063092 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -92.8042 eV; energy change = -5.4940 eV; symmetry: P4/mmm → P1
Fe8Co4B2C (space group: P4/mmm #123)
Phase diagram of Fe8Co2BN; eabovehull: 2.537165 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -138.5951 eV; energy change = -0.5867 eV; symmetry: I4/mmm → I4/mmm
Fe16Co4N2B2 (space group: I4/mmm #139)