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@will

magnet enjoyer

1860 XPLevel 19
3 followers1 following
3.96K files0 datasets0 services14 posts

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3917 total

FeCoPt phase diagram 1

.html file

Phase diagram of FeCoPt; e_above_hull: 0.075444 eV/atom; predicted_stable: False

4mo

FeCoPt (P3m1) 1 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -21.8449 eV; energy change = -0.0961 eV; symmetry: P3m1 → P-6m2

4mo

FeCoPt (P3m1) 1

.cif file

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

4mo

Fe16N2 (P6_3/mmc)

.cif file

Fe16N2 (space group: P6_3/mmc #194, crystal system: hexagonal, point group: 6/mmm)

4mo

FeCoBPt phase diagram

.html file

Phase diagram of FeCoBPt; e_above_hull: 1.564694 eV/atom; predicted_stable: False

4mo

FeCoPtB (Pmmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -23.2624 eV; energy change = 0.0000 eV; symmetry: Pmmm → Pmmm

4mo

FeCoPtB (Pmmm)

.cif file

FeCoPtB (space group: Pmmm #47, crystal system: orthorhombic, point group: mmm)

4mo

FeCoPt phase diagram

.html file

Phase diagram of FeCoPt; e_above_hull: 0.075445 eV/atom; predicted_stable: False

4mo

FeCoPt (P3m1) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -21.8449 eV; energy change = -0.0961 eV; symmetry: P3m1 → P-6m2

4mo

FeCoPt (P3m1)

.cif file

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

4mo

GaFeCoSi phase diagram 2

.html file

Phase diagram of GaFeCoSi; e_above_hull: 0.294701 eV/atom; predicted_stable: False

4mo

FeCoGaSi (P4mm) 2 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -24.4365 eV; energy change = -57.0664 eV; symmetry: P4mm → Pmm2

4mo

FeCoGaSi (P4mm) 2

.cif file

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

4mo

FeCoSiNi phase diagram 2

.html file

Phase diagram of FeCoSiNi; e_above_hull: 0.132170 eV/atom; predicted_stable: False

4mo

FeCoNiSi (Pmmm) 2 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.8062 eV; energy change = 0.0000 eV; symmetry: Pmmm → Pmmm

4mo

FeCoNiSi (Pmmm) 2

.cif file

FeCoNiSi (space group: Pmmm #47, crystal system: orthorhombic, point group: mmm)

4mo

MnCoSi phase diagram

.html file

Phase diagram of MnCoSi; e_above_hull: 0.325542 eV/atom; predicted_stable: False

4mo

MnCoSi (P3m1) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -22.0538 eV; energy change = -0.0004 eV; symmetry: P3m1 → P3m1

4mo

MnCoSi (P3m1)

.cif file

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

4mo

FeCoSiNi phase diagram 1

.html file

Phase diagram of FeCoSiNi; e_above_hull: 0.132170 eV/atom; predicted_stable: False

4mo
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