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6912 total

FeCoMnSi (P4mm) - relaxed

.cif

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -3.7066 eV; energy change = -134.3441 eV; symmetry: P4mm → P4/mmm

9mo

FeCoMnSi (P4mm)

.cif

FeCoMnSi (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

9mo

MnAlFeCo phase diagram 1

.html

Phase diagram of MnAlFeCo; eabovehull: 0.107929 eV/atom; predicted_stable: False

9mo

MnFeCoAl (P4mm) - relaxed

.cif

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.1590 eV; energy change = -0.0156 eV; symmetry: P4mm → P4mm

9mo

MnFeCoAl (P4mm)

.cif

MnFeCoAl (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

9mo

MnAlFeCo phase diagram

.html

Phase diagram of MnAlFeCo; eabovehull: 0.107929 eV/atom; predicted_stable: False

9mo

FeCoMnAl (P4mm) - relaxed

.cif

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.1590 eV; energy change = -0.0156 eV; symmetry: P4mm → P4mm

9mo

FeCoMnAl (P4mm)

.cif

FeCoMnAl (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

9mo

TiFeCo phase diagram

.html

Phase diagram of TiFeCo; eabovehull: 0.162909 eV/atom; predicted_stable: False

9mo

FeCoTi (P3m1) - relaxed

.cif

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -23.8714 eV; energy change = -0.0030 eV; symmetry: P3m1 → P3m1

9mo

FeCoTi (P3m1)

.cif

FeCoTi (space group: P3m1 #156, crystal system: trigonal, point group: 3m)

9mo

TiFeCoNi phase diagram

.html

Phase diagram of TiFeCoNi; eabovehull: 0.151298 eV/atom; predicted_stable: False

9mo

FeCoNiTi (P4mm) - relaxed

.cif

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.9015 eV; energy change = -0.0306 eV; symmetry: P4mm → P4mm

9mo

FeCoNiTi (P4mm)

.cif

FeCoNiTi (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

9mo

NbFeCoNi phase diagram

.html

Phase diagram of NbFeCoNi; eabovehull: 0.181579 eV/atom; predicted_stable: False

9mo

FeCoNiNb (P4mm) - relaxed

.cif

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -31.4243 eV; energy change = -0.0524 eV; symmetry: P4mm → P4mm

9mo

FeCoNiNb (P4mm)

.cif

FeCoNiNb (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

9mo

ZrNbFeCo phase diagram

.html

Phase diagram of ZrNbFeCo; eabovehull: 8.950358 eV/atom; predicted_stable: False

9mo

FeCoZrNb (P3m1) - relaxed

.cif

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 0.7181 eV; energy change = -0.1587 eV; symmetry: P3m1 → P1

9mo

FeCoZrNb (P3m1)

.cif

FeCoZrNb (space group: P3m1 #156, crystal system: trigonal, point group: 3m)

9mo
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