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

TiFe2CoN phase diagram 1

Phase diagram of TiFe2CoN; eabovehull: 0.483487 eV/atom; predicted_stable: False

TiFe2CoN (P4/mmm) 1 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -41.3994 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

TiFe2CoN (P4/mmm) 1

Fe2CoTiN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoTiN)

Fe4CoSiB2 phase diagram 2

Phase diagram of Fe4CoSiB2; eabovehull: 0.418959 eV/atom; predicted_stable: False

Fe4CoSiB2 (P4/mmm) 2 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -59.4671 eV; energy change = -0.0042 eV; symmetry: P4/mmm → P4/mmm

Fe4CoSiB2 (P4/mmm) 2

Fe4CoB2Si (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe4CoB2Si)

MnCo2Si phase diagram 1

Phase diagram of MnCo2Si; eabovehull: 0.229289 eV/atom; predicted_stable: False

MnCo2Si (Pmm2) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.5606 eV; energy change = -0.0047 eV; symmetry: Pmm2 → Pmm2

MnCo2Si (Pmm2)

Co2MnSi (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2) (missed expected composition: Co2MnSi)

MnFe2CoB phase diagram 1

Phase diagram of MnFe2CoB; eabovehull: 0.480942 eV/atom; predicted_stable: False

MnFe2CoB (P4/mmm) 1 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -38.6230 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

MnFe2CoB (P4/mmm) 1

Fe2CoMnB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoMnB)

MnFeCoSi phase diagram 2

Phase diagram of MnFeCoSi; eabovehull: 6.984988 eV/atom; predicted_stable: False

MnFeCoSi (P4mm) 1 - relaxed

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