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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

FeNiMoB (P4/mmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 4.2891 eV; energy change = -0.0245 eV; symmetry: P4/mmm → Pm

4mo

FeNiMoB (P4/mmm)

.cif file

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

4mo

TaFe2 phase diagram

.html file

Phase diagram of TaFe2; e_above_hull: 0.168184 eV/atom; predicted_stable: False

4mo

Fe2Ta (P-3m1) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -28.7925 eV; energy change = -0.0012 eV; symmetry: P-3m1 → P-3m1

4mo

Fe2Ta (P-3m1)

.cif file

Fe2Ta (space group: P-3m1 #164, crystal system: trigonal, point group: -3m)

4mo

MnAlFeCo phase diagram 2

.html file

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

4mo

FeCoMnAl (P4mm) 1 - relaxed

.cif file

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

4mo

FeCoMnAl (P4mm) 1

.cif file

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

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Fe2CoSi phase diagram 2

.html file

Phase diagram of Fe2CoSi; e_above_hull: 0.172434 eV/atom; predicted_stable: False

4mo

Fe2CoSi (Pmm2) 2 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -30.1484 eV; energy change = -0.0289 eV; symmetry: Pmm2 → Pmm2

4mo

Fe2CoSi (Pmm2) 2

.cif file

Fe2CoSi (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

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FeCoBPt phase diagram 1

.html file

Phase diagram of FeCoBPt; e_above_hull: 1.564693 eV/atom; predicted_stable: False

4mo

FeCoPtB (Pmmm) 1 - 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) 1

.cif file

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

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ZrFe8Co3B2 phase diagram

.html file

Phase diagram of ZrFe8Co3B2; e_above_hull: 0.346172 eV/atom; predicted_stable: False

4mo

Fe10Co3ZrB2 (P6/mmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -109.4723 eV; energy change = -60.8840 eV; symmetry: P6/mmm → P1

4mo

Fe10Co3ZrB2 (P6/mmm)

.cif file

Fe10Co3ZrB2 (space group: P6/mmm #191, crystal system: hexagonal, point group: 6/mmm)

4mo

Fe2CoB phase diagram

.html file

Phase diagram of Fe2CoB; e_above_hull: 0.370766 eV/atom; predicted_stable: False

4mo

Fe2CoB (Pmm2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -30.1663 eV; energy change = -0.0484 eV; symmetry: Pmm2 → Pmm2

4mo

Fe2CoB (Pmm2)

.cif file

Fe2CoB (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

4mo
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