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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

FeCoCr (P3m1) 6

.cif file

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

4mo

FeCo (P-6m2) 10

.cif file

FeCo (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)

4mo

FeNi (P-6m2) 4

.cif file

FeNi (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)

4mo

FeCoCr (P3m1) 5

.cif file

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

4mo

FeCo (P-6m2) 9

.cif file

FeCo (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)

4mo

FeNi (P-6m2) 3

.cif file

FeNi (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)

4mo

FeCoCr (P3m1) 4

.cif file

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

4mo

ErCo phase diagram

.html file

Phase diagram of ErCo; e_above_hull: 0.413443 eV/atom; predicted_stable: False

4mo

ErCo (P-6m2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -11.2886 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2

4mo

ErCo (P-6m2)

.cif file

ErCo (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)

4mo

FeCu phase diagram

.html file

Phase diagram of FeCu; e_above_hull: 0.146958 eV/atom; predicted_stable: False

4mo

FeCu (P-6m2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -12.2303 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2

4mo

FeCu (P-6m2)

.cif file

FeCu (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)

4mo

MnFe phase diagram

.html file

Phase diagram of MnFe; e_above_hull: 0.000000 eV/atom; predicted_stable: True

4mo

FeMn (P-6m2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -17.5557 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2

4mo

FeMn (P-6m2)

.cif file

FeMn (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)

4mo

MnCuNi phase diagram

.html file

Phase diagram of MnCuNi; e_above_hull: 0.122644 eV/atom; predicted_stable: False

4mo

MnNiCu (P3m1) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -18.7678 eV; energy change = -0.0077 eV; symmetry: P3m1 → P3m1

4mo

MnNiCu (P3m1)

.cif file

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

4mo

MnNi phase diagram 2

.html file

Phase diagram of MnNi; e_above_hull: 0.144731 eV/atom; predicted_stable: False

4mo
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