@ will

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -44.8704 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

Fe2CoWN (P4/mmm)

Fe2CoWN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

MnAlFeC phase diagram

Phase diagram of MnAlFeC; eabovehull: 1.877919 eV/atom; predicted_stable: False

MnAlFeC (P4/mmm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -23.8303 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

MnAlFeC (P4/mmm)

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

TiFe9CoN phase diagram

Phase diagram of TiFe9CoN; eabovehull: 0.591850 eV/atom; predicted_stable: False

TiFe9CoN (P4/mmm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -95.8363 eV; energy change = -24.7632 eV; symmetry: P4/mmm → Pm

TiFe9CoN (P4/mmm)

Fe10CoTiN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe10CoTiN)

MnFe2CoN phase diagram 2

Phase diagram of MnFe2CoN; eabovehull: 0.160888 eV/atom; predicted_stable: False

MnFe2CoN (P4/mmm) 2 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -41.3847 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

MnFe2CoN (P4/mmm) 2

Fe2CoMnN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoMnN)

TiFe2CoB phase diagram 1

Phase diagram of TiFe2CoB; eabovehull: 1.246228 eV/atom; predicted_stable: False

TiFe2CoB (P4/mmm) 1 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -34.5082 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

TiFe2CoB (P4/mmm) 1

Fe2CoTiB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoTiB)

MnCo2Si phase diagram 2

Phase diagram of MnCo2Si; eabovehull: 0.229271 eV/atom; predicted_stable: False

MnCo2Si (Pmm2) 1 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.5605 eV; energy change = -0.0046 eV; symmetry: Pmm2 → Pmm2

MnCo2Si (Pmm2) 1

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

Fe4CoSiB2 phase diagram 5

Phase diagram of Fe4CoSiB2; eabovehull: 0.418958 eV/atom; predicted_stable: False

Fe4CoSiB2 (P4/mmm) 5 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -59.4673 eV; energy change = -0.0043 eV; symmetry: P4/mmm → P4/mmm

Fe4CoSiB2 (P4/mmm) 5

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