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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

Mn2FeGe phase diagram

.html file

Phase diagram of Mn2FeGe; e_above_hull: 0.056042 eV/atom; predicted_stable: False

4mo

Mn2FeGe (Pmm2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -31.4525 eV; energy change = -0.0049 eV; symmetry: Pmm2 → Pmm2

4mo

Mn2FeGe (Pmm2)

.cif file

Mn2FeGe (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

4mo

AlFeCoNi phase diagram 1

.html file

Phase diagram of AlFeCoNi; e_above_hull: 0.687356 eV/atom; predicted_stable: False

4mo

FeCoNiAl (P4mm) 1 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -23.8257 eV; energy change = -0.5630 eV; symmetry: P4mm → P4mm

4mo

FeCoNiAl (P4mm) 1

.cif file

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

4mo

VCrMnFeCo (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -39.0884 eV; energy change = -4643.0303 eV; symmetry: P4mm → Cm

4mo

VCrMnFeCo (P4mm)

.cif file

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

4mo

ZrFeCoMo phase diagram 1

.html file

Phase diagram of ZrFeCoMo; e_above_hull: 1.444208 eV/atom; predicted_stable: False

4mo

FeCoMoZr (P3m1) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 51.3547 eV; energy change = -53.7855 eV; symmetry: P3m1 → P1

4mo

FeCoMoZr (P3m1)

.cif file

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

4mo

MnFeGa (P3m1)

.cif file

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

4mo

TiAlFeCo phase diagram 1

.html file

Phase diagram of TiAlFeCo; e_above_hull: 0.080744 eV/atom; predicted_stable: False

4mo

CoFeTiAl (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.1533 eV; energy change = -0.2198 eV; symmetry: P4mm → P4mm

4mo

CoFeTiAl (P4mm)

.cif file

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

4mo

TiAlFeCo phase diagram

.html file

Phase diagram of TiAlFeCo; e_above_hull: 0.080754 eV/atom; predicted_stable: False

4mo

FeCoTiAl (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.1533 eV; energy change = -0.2198 eV; symmetry: P4mm → P4mm

4mo

FeCoTiAl (P4mm)

.cif file

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

4mo

FeCoSiNi phase diagram

.html file

Phase diagram of FeCoSiNi; e_above_hull: 0.132170 eV/atom; predicted_stable: False

4mo

FeCoNiSi (Pmmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.8062 eV; energy change = 0.0000 eV; symmetry: Pmmm → Pmmm

4mo
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