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@will

magnet enjoyer

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

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3917 total

Fe3MnNiAlB2 (Pm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -56.9656 eV; energy change = -14.3124 eV; symmetry: Pm → Pm

4mo

Fe3MnNiAlB2 (Pm)

.cif file

Fe3MnNiAlB2 (space group: Pm #6, crystal system: monoclinic, point group: m)

4mo

MnFe3SiB2 phase diagram 1

.html file

Phase diagram of MnFe3SiB2; e_above_hull: 0.602096 eV/atom; predicted_stable: False

4mo

Fe3MnSiB2 (Pm) 1 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -52.0036 eV; energy change = -5.5470 eV; symmetry: Pm → Pm

4mo

Fe3MnSiB2 (Pm) 1

.cif file

Fe3MnSiB2 (space group: Pm #6, crystal system: monoclinic, point group: m)

4mo

MnFe2SiNi phase diagram 3

.html file

Phase diagram of MnFe2SiNi; e_above_hull: 38.450104 eV/atom; predicted_stable: False

4mo

Fe2MnNiSi (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 151.6603 eV; energy change = -54974.8631 eV; symmetry: P4mm → P1

4mo

Fe2MnNiSi (P4mm)

.cif file

Fe2MnNiSi (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

4mo

MnFe6SiB2 phase diagram

.html file

Phase diagram of MnFe6SiB2; e_above_hull: 0.614825 eV/atom; predicted_stable: False

4mo

Fe6Ni2MnSiB2 (P4/mmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -75.7860 eV; energy change = -19.3128 eV; symmetry: P4/mmm → P4/mmm

4mo

Fe6Ni2MnSiB2 (P4/mmm)

.cif file

Fe6Ni2MnSiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

4mo

MnGaFe2 phase diagram 1

.html file

Phase diagram of MnGaFe2; e_above_hull: 0.091347 eV/atom; predicted_stable: False

4mo

Fe2MnGa (Pmm2) 1 - 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) 1

.cif file

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

4mo

Fe3SiNiB2 phase diagram 1

.html file

Phase diagram of Fe3SiNiB2; e_above_hull: 0.449968 eV/atom; predicted_stable: False

4mo

Fe3NiSiB2 (Pm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -49.7009 eV; energy change = -6.1874 eV; symmetry: Pm → Pm

4mo

Fe3NiSiB2 (Pm)

.cif file

Fe3NiSiB2 (space group: Pm #6, crystal system: monoclinic, point group: m)

4mo

MnFe3Si phase diagram

.html file

Phase diagram of MnFe3Si; e_above_hull: 1.230729 eV/atom; predicted_stable: False

4mo

Fe3MnSi (Pm-3m) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -35.0916 eV; energy change = 0.0000 eV; symmetry: Pm-3m → Pm-3m

4mo

Fe3MnSi (Pm-3m)

.cif file

Fe3MnSi (space group: Pm-3m #221, crystal system: cubic, point group: m-3m)

4mo
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