@ all

Fe2CoNbB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoNbB)

Fe4CoB2Mo phase diagram

Phase diagram of Fe4CoB2Mo; eabovehull: 0.532048 eV/atom; predicted_stable: False

Fe4CoB2Mo (P4/mmm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -63.1077 eV; energy change = -1.2367 eV; symmetry: P4/mmm → P4/mmm

Fe4CoB2Mo (P4/mmm)

Fe4CoMoB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe4CoMoB2)

ZrFe2CoB phase diagram

Phase diagram of ZrFe2CoB; eabovehull: 0.601895 eV/atom; predicted_stable: False

ZrFe2CoB (P4/mmm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -38.2885 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

ZrFe2CoB (P4/mmm)

Fe2CoZrB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoZrB)

Fe2CoWN phase diagram

Phase diagram of Fe2CoWN; eabovehull: 0.235927 eV/atom; predicted_stable: False

Fe2CoWN (P4/mmm) - relaxed

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