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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

FeCoNiSi (Pmmm)

.cif file

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

4mo

ZrAlFeCo phase diagram 1

.html file

Phase diagram of ZrAlFeCo; e_above_hull: 0.690892 eV/atom; predicted_stable: False

4mo

FeCoZrAl (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -26.9444 eV; energy change = -0.8878 eV; symmetry: P4mm → P1

4mo

FeCoZrAl (P4mm)

.cif file

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

4mo

VFeCoNi phase diagram

.html file

Phase diagram of VFeCoNi; e_above_hull: 7.072753 eV/atom; predicted_stable: False

4mo

FeCoNiV (P4/mmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -2.8781 eV; energy change = -0.0001 eV; symmetry: P4/mmm → P4/mmm

4mo

FeCoNiV (P4/mmm)

.cif file

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

4mo

ZrAlFeCo phase diagram

.html file

Phase diagram of ZrAlFeCo; e_above_hull: 0.690897 eV/atom; predicted_stable: False

4mo

CoFeZrAl (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -26.9444 eV; energy change = -0.8878 eV; symmetry: P4mm → P1

4mo

CoFeZrAl (P4mm)

.cif file

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

4mo

GaFe2Co phase diagram

.html file

Phase diagram of GaFe2Co; e_above_hull: 0.114080 eV/atom; predicted_stable: False

4mo

Fe2CoGa (Pmm2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.2868 eV; energy change = -0.0120 eV; symmetry: Pmm2 → Pmm2

4mo

Fe2CoGa (Pmm2)

.cif file

Fe2CoGa (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

4mo

MnCo2Si phase diagram

.html file

Phase diagram of MnCo2Si; e_above_hull: 0.229304 eV/atom; predicted_stable: False

4mo

Co2MnSi (Pmm2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.5605 eV; energy change = -0.0048 eV; symmetry: Pmm2 → Pmm2

4mo

Co2MnSi (Pmm2)

.cif file

Co2MnSi (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

4mo

GaFeCoSi2 phase diagram

.html file

Phase diagram of GaFeCoSi2; e_above_hull: 0.471791 eV/atom; predicted_stable: False

4mo

FeCoGaSi2 (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.3921 eV; energy change = -43.4666 eV; symmetry: P4mm → P1

4mo

FeCoGaSi2 (P4mm)

.cif file

FeCoGaSi2 (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

4mo

VFeCo phase diagram

.html file

Phase diagram of VFeCo; e_above_hull: 0.084015 eV/atom; predicted_stable: False

4mo
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