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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

Fe2MnAlB (P4/mmm) 1

.cif file

Fe2MnAlB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

4mo

Fe4MnCrNiB2 (P-4m2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -69.7288 eV; energy change = -14.1692 eV; symmetry: P-4m2 → Pm

4mo

Fe4MnCrNiB2 (P-4m2)

.cif file

Fe4MnCrNiB2 (space group: P-4m2 #115, crystal system: tetragonal, point group: -42m)

4mo

Fe2SiNiB2 phase diagram

.html file

Phase diagram of Fe2SiNiB2; e_above_hull: 0.298868 eV/atom; predicted_stable: False

4mo

Fe2NiSiB2 (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -42.1887 eV; energy change = -9.3281 eV; symmetry: P4mm → P4mm

4mo

Fe2NiSiB2 (P4mm)

.cif file

Fe2NiSiB2 (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

4mo

Mn2AlGaFe phase diagram

.html file

Phase diagram of Mn2AlGaFe; e_above_hull: 1.689853 eV/atom; predicted_stable: False

4mo

Mn2FeGaAl (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -25.9374 eV; energy change = -4.1478 eV; symmetry: P4mm → P1

4mo

Mn2FeGaAl (P4mm)

.cif file

Mn2FeGaAl (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

4mo

MnFe4NiB2 phase diagram

.html file

Phase diagram of MnFe4NiB2; e_above_hull: 0.444255 eV/atom; predicted_stable: False

4mo

Fe4MnNiB2 (P4/mmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -60.7034 eV; energy change = -0.0001 eV; symmetry: P4/mmm → P4/mmm

4mo

Fe4MnNiB2 (P4/mmm)

.cif file

Fe4MnNiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

4mo

Fe2MnCrSiB2 (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -59.5368 eV; energy change = -9.4750 eV; symmetry: P4mm → P1

4mo

Fe2MnCrSiB2 (P4mm)

.cif file

Fe2MnCrSiB2 (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

4mo

MnAlFe2Ni phase diagram 3

.html file

Phase diagram of MnAlFe2Ni; e_above_hull: 1.190918 eV/atom; predicted_stable: False

4mo

Fe2NiMnAl (P4mm) 3 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -30.8458 eV; energy change = -38.5475 eV; symmetry: P4mm → P4mm

4mo

Fe2NiMnAl (P4mm) 3

.cif file

Fe2NiMnAl (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

4mo

MnAlFe2B phase diagram

.html file

Phase diagram of MnAlFe2B; e_above_hull: 0.245445 eV/atom; predicted_stable: False

4mo

Fe2MnAlB (P4/mmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -36.9679 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

4mo

Fe2MnAlB (P4/mmm)

.cif file

Fe2MnAlB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

4mo
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