Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.8963 eV; energy change = -0.1427 eV; symmetry: P4mm → P4mm
FeNiMnAl (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)
Phase diagram of Fe4SiNiB2; eabovehull: 0.425305 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -58.0954 eV; energy change = -0.0721 eV; symmetry: P4/mmm → P4/mmm
Fe4NiSiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Phase diagram of FeNi2Ge; eabovehull: 0.164210 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -24.8621 eV; energy change = -0.0207 eV; symmetry: Pmm2 → Pmm2
Ni2FeGe (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)
Phase diagram of FeNi2Ge; eabovehull: 0.164210 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -24.8621 eV; energy change = -0.0207 eV; symmetry: Pmm2 → Pmm2
Ni2FeGe (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)
Phase diagram of AlFe2SiNi; eabovehull: 1.224438 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 126.1471 eV; energy change = -4952.5506 eV; symmetry: P4mm → P1
Fe2NiAlSi (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)
Phase diagram of FeSiNi2; eabovehull: 0.176406 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -26.3791 eV; energy change = -0.0141 eV; symmetry: Pmm2 → Pmm2
Ni2FeSi (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)
Phase diagram of MnFe4SiB2; eabovehull: 0.441857 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -61.2611 eV; energy change = -0.0030 eV; symmetry: P4/mmm → P4/mmm
Fe4MnSiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)