Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -30.8458 eV; energy change = -38.5475 eV; symmetry: P4mm → P4mm
Fe2NiMnAl (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)
Phase diagram of Fe2NiGe; e_above_hull: 0.149822 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.3708 eV; energy change = -0.0398 eV; symmetry: Pmm2 → Pmm2
Fe2NiGe (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)
Phase diagram of AlFe2Ni; e_above_hull: 0.112198 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.2435 eV; energy change = -0.0138 eV; symmetry: Pmm2 → Pmm2
Fe2NiAl (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)
Phase diagram of FeNi2B; e_above_hull: 0.447395 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -25.9269 eV; energy change = 0.0000 eV; symmetry: Pmmm → Pmmm
FeNi2B (space group: Pmmm #47, crystal system: orthorhombic, point group: mmm)
Phase diagram of Fe2SiNi; e_above_hull: 0.178324 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -28.8501 eV; energy change = -0.0854 eV; symmetry: Pmm2 → Pmm2
Fe2NiSi (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)
Phase diagram of Fe3NiN; e_above_hull: 0.039361 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -39.6941 eV; energy change = 0.0000 eV; symmetry: Pm-3m → Pm-3m
Fe3NiN (space group: Pm-3m #221, crystal system: cubic, point group: m-3m)
Phase diagram of FeNi; e_above_hull: 0.085298 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -14.1948 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2
FeNi (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)