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Phase diagram of MnAlFeC; eabovehull: 1.877879 eV/atom; predicted_stable: False

MnAlFeC (P4/mmm) 1 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -23.8304 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

MnAlFeC (P4/mmm) 1

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

MnAlFe2CoN phase diagram

Phase diagram of MnAlFe2CoN; eabovehull: 1.106997 eV/atom; predicted_stable: False

MnAlFe2CoN (P4mm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -41.5525 eV; energy change = -7.9131 eV; symmetry: P4mm → P1

MnAlFe2CoN (P4mm)

Fe2CoMnAlN (space group: P4mm #99, crystal system: tetragonal, point group: 4mm) (missed expected composition: Fe2CoMnAlN)

CrFeSiNi2 phase diagram

Phase diagram of CrFeSiNi2; eabovehull: 1.220332 eV/atom; predicted_stable: False

CrFeSiNi2 (P4mm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -30.6304 eV; energy change = -24.5121 eV; symmetry: P4mm → P4mm

CrFeSiNi2 (P4mm)

Ni2FeCrSi (space group: P4mm #99, crystal system: tetragonal, point group: 4mm) (missed expected composition: Ni2FeCrSi)

Fe2CoSiNiB phase diagram

Phase diagram of Fe2CoSiNiB; eabovehull: 0.608631 eV/atom; predicted_stable: False

Fe2CoSiNiB (P4mm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -40.6921 eV; energy change = -185.8832 eV; symmetry: P4mm → P1

Fe2CoSiNiB (P4mm)

Fe2CoNiSiB (space group: P4mm #99, crystal system: tetragonal, point group: 4mm) (missed expected composition: Fe2CoNiSiB)

Fe2CoBN phase diagram 3

Phase diagram of Fe2CoBN; eabovehull: 0.942704 eV/atom; predicted_stable: False

Fe2CoBN (P4/mmm) 3 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -37.0231 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

Fe2CoBN (P4/mmm) 3

Fe2CoBN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

AlFe4CoNiB phase diagram

Phase diagram of AlFe4CoNiB; eabovehull: 0.384623 eV/atom; predicted_stable: False

AlFe4CoNiB (P4/mmm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -56.4758 eV; energy change = -0.0538 eV; symmetry: P4/mmm → P4/mmm

AlFe4CoNiB (P4/mmm)

Fe2CoNiAlB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoNiAlB)

MnAl2Fe2(CoN2)2 phase diagram

Phase diagram of MnAl2Fe2(CoN2)2; eabovehull: 4.539036 eV/atom; predicted_stable: False

MnAlFeCoN2 (P4mm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -45.5322 eV; energy change = -9.8515 eV; symmetry: P4mm → Pmm2