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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

FeCoGaSi (P4mm)

.cif file

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

4mo

MnGaFe2 phase diagram

.html file

Phase diagram of MnGaFe2; e_above_hull: 0.091348 eV/atom; predicted_stable: False

4mo

Fe2MnGa (Pmm2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.1186 eV; energy change = -0.0152 eV; symmetry: Pmm2 → Pmm2

4mo

Fe2MnGa (Pmm2)

.cif file

Fe2MnGa (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

4mo

FeSi2Ni phase diagram

.html file

Phase diagram of FeSi2Ni; e_above_hull: 0.157244 eV/atom; predicted_stable: False

4mo

FeNiSi2 (Pmm2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -26.4641 eV; energy change = -0.0017 eV; symmetry: Pmm2 → Pmm2

4mo

FeNiSi2 (Pmm2)

.cif file

FeNiSi2 (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

4mo

MnSiNi2 phase diagram

.html file

Phase diagram of MnSiNi2; e_above_hull: 0.183813 eV/atom; predicted_stable: False

4mo

Ni2MnSi (Pmm2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.1229 eV; energy change = -0.0005 eV; symmetry: Pmm2 → Pmm2

4mo

Ni2MnSi (Pmm2)

.cif file

Ni2MnSi (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

4mo

MnCrFeCo phase diagram 2

.html file

Phase diagram of MnCrFeCo; e_above_hull: 1.257532 eV/atom; predicted_stable: False

4mo

FeCoCrMn (P3m1) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 131.6653 eV; energy change = 12.9802 eV; symmetry: P3m1 → P1

4mo

FeCoCrMn (P3m1)

.cif file

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

4mo

FeCoSi2 phase diagram

.html file

Phase diagram of FeCoSi2; e_above_hull: 0.219596 eV/atom; predicted_stable: False

4mo

FeCoSi2 (Pmm2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.7648 eV; energy change = -0.0027 eV; symmetry: Pmm2 → Pmm2

4mo

FeCoSi2 (Pmm2)

.cif file

FeCoSi2 (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

4mo

MnFeCoSi4 phase diagram

.html file

Phase diagram of MnFeCoSi4; e_above_hull: 0.457387 eV/atom; predicted_stable: False

4mo

FeCoMnSi2 (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -46.7237 eV; energy change = -31.4641 eV; symmetry: P4mm → P4/mmm

4mo

FeCoMnSi2 (P4mm)

.cif file

FeCoMnSi2 (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

4mo

MnFeSi2 phase diagram

.html file

Phase diagram of MnFeSi2; e_above_hull: 0.229590 eV/atom; predicted_stable: False

4mo
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