@ all

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

Fe3CoN phase diagram

Phase diagram of Fe3CoN; eabovehull: 0.096231 eV/atom; predicted_stable: False

Fe3CoN (Pm-3m) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -40.7103 eV; energy change = 0.0000 eV; symmetry: Pm-3m → Pm-3m

Fe3CoN (Pm-3m)

Fe3CoN (space group: Pm-3m #221, crystal system: cubic, point group: m-3m)

Fe2CoSiB phase diagram 1

Phase diagram of Fe2CoSiB; eabovehull: 1.178401 eV/atom; predicted_stable: False

Fe2CoSiB (P4/mmm) 1 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -32.3957 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

Fe2CoSiB (P4/mmm) 1

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