@ all

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -241.0285 eV; energy change = -35.6297 eV; symmetry: P1 → P1

GEPA-iteration-18-v03.cif

Crystal structure generated by GEPA optimization (iteration 18)

Mn2Fe14SiB2C phase diagram

Phase diagram of Mn2Fe14SiB2C; eabovehull: 0.180856 eV/atom; predicted_stable: False

Mn2Fe16SiB2C phase diagram

Phase diagram of Mn2Fe16SiB2C; eabovehull: 0.194330 eV/atom; predicted_stable: False

GEPA-iteration-17-v03.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -164.2600 eV; energy change = -54.0523 eV; symmetry: P1 → P1

GEPA-iteration-16-v03.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -180.4674 eV; energy change = -33.3522 eV; symmetry: P1 → P1

GEPA-iteration-17-v03.cif

Crystal structure generated by GEPA optimization (iteration 17)

GEPA-iteration-16-v03.cif

Crystal structure generated by GEPA optimization (iteration 16)

Mn2Fe12SiNi2B phase diagram 6

Phase diagram of Mn2Fe12SiNi2B; eabovehull: 0.129586 eV/atom; predicted_stable: False

Mn2Fe12SiNi2B phase diagram 5

Phase diagram of Mn2Fe12SiNi2B; eabovehull: 0.129636 eV/atom; predicted_stable: False

Mn2Fe12SiNi2B phase diagram 4

Phase diagram of Mn2Fe12SiNi2B; eabovehull: 0.129608 eV/atom; predicted_stable: False

Mn2Fe12SiNi2B phase diagram 3

Phase diagram of Mn2Fe12SiNi2B; eabovehull: 0.129629 eV/atom; predicted_stable: False

Mn2Fe12SiNi2B phase diagram 2

Phase diagram of Mn2Fe12SiNi2B; eabovehull: 0.129634 eV/atom; predicted_stable: False

Mn2Fe12SiNi2B phase diagram 1

Phase diagram of Mn2Fe12SiNi2B; eabovehull: 0.129577 eV/atom; predicted_stable: False

GEPA-iteration-10-v03.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -143.7047 eV; energy change = -23.5486 eV; symmetry: P1 → P1

GEPA-iteration-15-v03.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -143.7031 eV; energy change = -23.5469 eV; symmetry: P1 → P1

GEPA-iteration-9-v03.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -143.7037 eV; energy change = -23.5478 eV; symmetry: P1 → P1

GEPA-iteration-14-v03.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -143.7042 eV; energy change = -23.5480 eV; symmetry: P1 → P1

MnFe4Co2NiBCN phase diagram 3

Phase diagram of MnFe4Co2NiBCN; eabovehull: 0.362415 eV/atom; predicted_stable: False

GEPA-iteration-13-v03.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -143.7040 eV; energy change = -23.5478 eV; symmetry: P1 → P1