Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -115.3717 eV; energy change = -546.4016 eV; symmetry: I4/mmm → P1
Crystal structure for Fe8Co2Nb2B4
Phase diagram of TiFe2CoB2; eabovehull: 5.019946 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -36.9088 eV; energy change = 0.0011 eV; symmetry: I4/mmm → I4/mmm
Crystal structure for Fe4Co2Ti2B2
Phase diagram of TiFe4Co2B; eabovehull: 0.947241 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -95.8513 eV; energy change = 1.1771 eV; symmetry: I4/mmm → Cm
Crystal structure for Fe4Co2TiB
Crystal structure for Fe2CoNiAlB3
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -66.3882 eV; energy change = -46.1461 eV; symmetry: I4/mmm → I4/mmm
Phase diagram of Al2FeCo(NiB)2; eabovehull: 1.294827 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -83.4726 eV; energy change = -63.2334 eV; symmetry: I4/mmm → P1
Crystal structure for FeCoNi2B2Al
Crystal structure for Fe4Co2Mn2Al2B2
Crystal structure for Fe2Co2Mn4Si2B4
Supercell 2x2x2 of MnFe2C (Space group: P2_1, 16 symmetry operations)
Phase diagram of MnFe2C; eabovehull: 0.225988 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -137.7658 eV; energy change = -67.5111 eV; symmetry: Pnma → Imma
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -137.7659 eV; energy change = -67.5113 eV; symmetry: Pnma → Imma
Gemini 2.5 Pro generated Fe2MnC