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
Fe2NiGe (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)
Phase diagram of Fe4SiNiB2; eabovehull: 0.425551 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -58.0947 eV; energy change = -0.0720 eV; symmetry: P4/mmm → P4/mmm
Fe4NiSiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe4NiSiB2)
Phase diagram of Fe2SiNi; eabovehull: 0.178304 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -28.8504 eV; energy change = -0.0859 eV; symmetry: Pmm2 → Pmm2
Fe2NiSi (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2) (missed expected composition: Fe2NiSi)
Phase diagram of Fe4SiNiB2; eabovehull: 0.425550 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -58.0937 eV; energy change = -0.0709 eV; symmetry: P4/mmm → P4/mmm
Fe4NiSiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe4NiSiB2)
Phase diagram of Fe5SiB2; eabovehull: 0.376495 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -60.9532 eV; energy change = -0.0144 eV; symmetry: P4/mmm → P4/mmm
Fe5SiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Phase diagram of Fe5SiB2; eabovehull: 0.376499 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -60.9532 eV; energy change = -0.0143 eV; symmetry: P4/mmm → P4/mmm
Fe5SiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Phase diagram of AlFe2Ni; eabovehull: 0.112163 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.2434 eV; energy change = -0.0141 eV; symmetry: Pmm2 → Pmm2