@ will

Phase diagram of AlFeCo4B; eabovehull: 0.487743 eV/atom; predicted_stable: False

AlFeCo4B (P4/mmm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -46.0499 eV; energy change = -0.4070 eV; symmetry: P4/mmm → P4/mmm

AlFeCo4B (P4/mmm)

Co2FeAlB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Co2FeAlB)

MnAlNi2 phase diagram

Phase diagram of MnAlNi2; eabovehull: 0.149686 eV/atom; predicted_stable: False

MnAlNi2 (Pmm2) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -25.4745 eV; energy change = -0.0093 eV; symmetry: Pmm2 → Pmm2

MnAlNi2 (Pmm2)

Ni2MnAl (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2) (missed expected composition: Ni2MnAl)

MnFeCoSi phase diagram 1

Phase diagram of MnFeCoSi; eabovehull: 0.182021 eV/atom; predicted_stable: False

MnFeCoSi (P4mm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -22.4133 eV; energy change = -153.0450 eV; symmetry: P4mm → P1

MnFeCoSi (P4mm)

CoFeMnSi (space group: P4mm #99, crystal system: tetragonal, point group: 4mm) (missed expected composition: CoFeMnSi)

Mn2GaFeCo phase diagram

Phase diagram of Mn2GaFeCo; eabovehull: 0.984798 eV/atom; predicted_stable: False

Mn2GaFeCo (P-4m2) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -32.5813 eV; energy change = -0.2419 eV; symmetry: P-4m2 → P-4m2

Mn2GaFeCo (P-4m2)

Mn2FeCoGa (space group: P-4m2 #115, crystal system: tetragonal, point group: -42m) (missed expected composition: Mn2FeCoGa)

ZrFe2CoB2 phase diagram 1

Phase diagram of ZrFe2CoB2; eabovehull: 0.687856 eV/atom; predicted_stable: False

ZrFe2CoB2 (P4mm) 1 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -44.9245 eV; energy change = -7.4877 eV; symmetry: P4mm → P4mm

ZrFe2CoB2 (P4mm) 1

Fe2CoZrB2 (space group: P4mm #99, crystal system: tetragonal, point group: 4mm) (missed expected composition: Fe2CoZrB2)

Fe4CoSiB2 phase diagram 1

Phase diagram of Fe4CoSiB2; eabovehull: 0.418976 eV/atom; predicted_stable: False

Fe4CoSiB2 (P4/mmm) 1 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -59.4669 eV; energy change = -0.0042 eV; symmetry: P4/mmm → P4/mmm

Fe4CoSiB2 (P4/mmm) 1

Fe4CoSiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

ZrFe10Co2N phase diagram

Phase diagram of ZrFe10Co2N; eabovehull: 0.681029 eV/atom; predicted_stable: False

ZrFe10Co2N (P-1) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -109.7502 eV; energy change = -9.8694 eV; symmetry: P-1 → P1