Phase diagram of Fe2B; eabovehull: 0.334312 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -23.5281 eV; energy change = -0.0668 eV; symmetry: P-3m1 → P-3m1
Fe2B (space group: P-3m1 #164, crystal system: trigonal, point group: -3m)
Phase diagram of AlFe3Ni; eabovehull: 1.195107 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -30.1490 eV; energy change = 0.0000 eV; symmetry: Pm-3m → Pm-3m
Fe3NiAl (space group: Pm-3m #221, crystal system: cubic, point group: m-3m) (missed expected composition: Fe3NiAl)
Phase diagram of FeNi; eabovehull: 0.085333 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -14.1946 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2
FeNi (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)
Phase diagram of MnAlFe2; eabovehull: 0.090303 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -30.1204 eV; energy change = -0.0097 eV; symmetry: Pmm2 → Pmm2
Fe2MnAl (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2) (missed expected composition: Fe2MnAl)
Phase diagram of AlFe2NiB2; eabovehull: 0.571741 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -39.1711 eV; energy change = -3.3236 eV; symmetry: P4mm → Pmm2
Fe2NiAlB2 (space group: P4mm #99, crystal system: tetragonal, point group: 4mm) (missed expected composition: Fe2NiAlB2)
Phase diagram of ZrFe2Ni; eabovehull: 0.180516 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -31.6740 eV; energy change = 0.0000 eV; symmetry: Pmmm → Pmmm
Fe2NiZr (space group: Pmmm #47, crystal system: orthorhombic, point group: mmm) (missed expected composition: Fe2NiZr)
Phase diagram of Fe2NiGe; eabovehull: 0.149732 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.3711 eV; energy change = -0.0401 eV; symmetry: Pmm2 → Pmm2