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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

MnAlFeCo phase diagram 1

.html file

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

4mo

MnFeCoAl (P4mm) - 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

MnFeCoAl (P4mm)

.cif file

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

4mo

MnAlFeCo phase diagram

.html file

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

4mo

FeCoMnAl (P4mm) - 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)

.cif file

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

4mo

TiFeCo phase diagram

.html file

Phase diagram of TiFeCo; e_above_hull: 0.162909 eV/atom; predicted_stable: False

4mo

FeCoTi (P3m1) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -23.8714 eV; energy change = -0.0030 eV; symmetry: P3m1 → P3m1

4mo

FeCoTi (P3m1)

.cif file

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

4mo

TiFeCoNi phase diagram

.html file

Phase diagram of TiFeCoNi; e_above_hull: 0.151298 eV/atom; predicted_stable: False

4mo

FeCoNiTi (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.9015 eV; energy change = -0.0306 eV; symmetry: P4mm → P4mm

4mo

FeCoNiTi (P4mm)

.cif file

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

4mo

NbFeCoNi phase diagram

.html file

Phase diagram of NbFeCoNi; e_above_hull: 0.181579 eV/atom; predicted_stable: False

4mo

FeCoNiNb (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -31.4243 eV; energy change = -0.0524 eV; symmetry: P4mm → P4mm

4mo

FeCoNiNb (P4mm)

.cif file

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

4mo

ZrNbFeCo phase diagram

.html file

Phase diagram of ZrNbFeCo; e_above_hull: 8.950358 eV/atom; predicted_stable: False

4mo

FeCoZrNb (P3m1) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 0.7181 eV; energy change = -0.1587 eV; symmetry: P3m1 → P1

4mo

FeCoZrNb (P3m1)

.cif file

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

4mo

GaFeCoSi phase diagram

.html file

Phase diagram of GaFeCoSi; e_above_hull: 0.298271 eV/atom; predicted_stable: False

4mo

FeCoGaSi (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -24.4220 eV; energy change = -57.0519 eV; symmetry: P4mm → Pm

4mo
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