@ all

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -3.7081 eV; energy change = -134.3390 eV; symmetry: P4mm → P4/mmm

MnFeCoSi (P4mm) 1

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

MnFe2CoSi phase diagram 1

Phase diagram of MnFe2CoSi; eabovehull: 1.685811 eV/atom; predicted_stable: False

MnFe2CoSi (P4/mmm) 1 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -31.6737 eV; energy change = -19.1982 eV; symmetry: P4/mmm → Pm

MnFe2CoSi (P4/mmm) 1

Fe2CoMnSi (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoMnSi)

Fe5B2P phase diagram 1

Phase diagram of Fe5B2P; eabovehull: 0.400309 eV/atom; predicted_stable: False

Fe5B2P (P4/mmm) 1 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -60.9992 eV; energy change = -0.0493 eV; symmetry: P4/mmm → P4/mmm

Fe5B2P (P4/mmm) 1

Fe5PB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe5PB2)

Fe4CoB2P phase diagram 1

Phase diagram of Fe4CoB2P; eabovehull: 0.404030 eV/atom; predicted_stable: False

Fe4CoB2P (Pm) 1 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -59.7835 eV; energy change = -18.0678 eV; symmetry: Pm → Pm

Fe4CoB2P (Pm) 1

Fe4CoB2P (space group: Pm #6, crystal system: monoclinic, point group: m)

Fe2CoSiN phase diagram 1

Phase diagram of Fe2CoSiN; eabovehull: 0.400746 eV/atom; predicted_stable: False

Fe2CoSiN (P4/mmm) 1 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -38.1442 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

Fe2CoSiN (P4/mmm) 1

Fe2CoSiN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

Fe2CoSiB phase diagram

Phase diagram of Fe2CoSiB; eabovehull: 1.178296 eV/atom; predicted_stable: False

Fe2CoSiB (P4/mmm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -32.3961 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

Fe2CoSiB (P4/mmm)

Fe2CoSiB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

MnFe3Si phase diagram 1

Phase diagram of MnFe3Si; eabovehull: 1.230595 eV/atom; predicted_stable: False

MnFe3Si (Pm-3m) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -35.0915 eV; energy change = 0.0000 eV; symmetry: Pm-3m → Pm-3m

MnFe3Si (Pm-3m)

Fe3MnSi (space group: Pm-3m #221, crystal system: cubic, point group: m-3m) (missed expected composition: Fe3MnSi)