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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

Fe5SiB2 (P4/mmm) 2

.cif file

Fe5SiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

4mo

MnFe2SiNi phase diagram 1

.html file

Phase diagram of MnFe2SiNi; e_above_hull: 40.131280 eV/atom; predicted_stable: False

4mo

Fe2NiMnSi (P4mm) 1 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 167.9410 eV; energy change = -54958.5824 eV; symmetry: P4mm → P1

4mo

Fe2NiMnSi (P4mm) 1

.cif file

Fe2NiMnSi (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

4mo

Fe2NiGe phase diagram 1

.html file

Phase diagram of Fe2NiGe; e_above_hull: 0.149822 eV/atom; predicted_stable: False

4mo

Fe2NiGe (Pmm2) 1 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.3708 eV; energy change = -0.0398 eV; symmetry: Pmm2 → Pmm2

4mo

Fe2NiGe (Pmm2) 1

.cif file

Fe2NiGe (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

4mo

Fe2SiNi phase diagram 1

.html file

Phase diagram of Fe2SiNi; e_above_hull: 0.178324 eV/atom; predicted_stable: False

4mo

Fe2NiSi (Pmm2) 1 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -28.8501 eV; energy change = -0.0854 eV; symmetry: Pmm2 → Pmm2

4mo

Fe2NiSi (Pmm2) 1

.cif file

Fe2NiSi (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

4mo

MnAlFe4Ni phase diagram

.html file

Phase diagram of MnAlFe4Ni; e_above_hull: 0.422783 eV/atom; predicted_stable: False

4mo

Fe4NiMnAl (P4/mmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -50.7065 eV; energy change = -0.1315 eV; symmetry: P4/mmm → P4/mmm

4mo

Fe4NiMnAl (P4/mmm)

.cif file

Fe4NiMnAl (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

4mo

VFe4(SiNi)2 phase diagram

.html file

Phase diagram of VFe4(SiNi)2; e_above_hull: 9.601181 eV/atom; predicted_stable: False

4mo

Fe2NiSiV (P4/mmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -11.6819 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

4mo

Fe2NiSiV (P4/mmm)

.cif file

Fe2NiSiV (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

4mo

MnFe2SiNi phase diagram

.html file

Phase diagram of MnFe2SiNi; e_above_hull: 1.238905 eV/atom; predicted_stable: False

4mo

Fe2NiMnSi (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 153.8748 eV; energy change = -54972.6486 eV; symmetry: P4mm → P1

4mo

Fe2NiMnSi (P4mm)

.cif file

Fe2NiMnSi (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

4mo

MnFeSiNi phase diagram

.html file

Phase diagram of MnFeSiNi; e_above_hull: 0.136581 eV/atom; predicted_stable: False

4mo
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