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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

MnNbFeCo phase diagram

.html file

Phase diagram of MnNbFeCo; e_above_hull: 0.653681 eV/atom; predicted_stable: False

4mo

FeCoMnNb (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -32.6078 eV; energy change = -0.3576 eV; symmetry: P4mm → P1

4mo

FeCoMnNb (P4mm)

.cif file

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

4mo

FeCo (P-6m2) 16

.cif file

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

4mo

FeCo (P-6m2) 15

.cif file

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

4mo

FeCo (P-6m2) 14

.cif file

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

4mo

FeCo (P-6m2) 13

.cif file

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

4mo

FeCo (P-6m2) 12

.cif file

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

4mo

FeCo phase diagram 6

.html file

Phase diagram of FeCo; e_above_hull: 0.157973 eV/atom; predicted_stable: False

4mo

FeCo (P-6m2) 11 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -15.3505 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2

4mo

FeCo (P-6m2) 11

.cif file

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

4mo

FeNi phase diagram 2

.html file

Phase diagram of FeNi; e_above_hull: 0.085298 eV/atom; predicted_stable: False

4mo

FeNi (P-6m2) 6 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -14.1948 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2

4mo

FeNi (P-6m2) 6

.cif file

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

4mo

CrFeCo phase diagram 4

.html file

Phase diagram of CrFeCo; e_above_hull: 0.115611 eV/atom; predicted_stable: False

4mo

FeCoCr (P3m1) 7 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -24.8723 eV; energy change = -0.0012 eV; symmetry: P3m1 → P3m1

4mo

FeCoCr (P3m1) 7

.cif file

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

4mo

FeNi (P-6m2) 5

.cif file

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

4mo

CrFeCo phase diagram 3

.html file

Phase diagram of CrFeCo; e_above_hull: 0.115611 eV/atom; predicted_stable: False

4mo

FeCoCr (P3m1) 6 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -24.8723 eV; energy change = -0.0012 eV; symmetry: P3m1 → P3m1

4mo
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