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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

Co5Fe2ReW (P-4m2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -71.7900 eV; energy change = -25.9038 eV; symmetry: P-4m2 → P-4m2

4mo

Co5Fe2ReW (P-4m2)

.cif file

Co5Fe2ReW (space group: P-4m2 #115, crystal system: tetragonal, point group: -42m)

4mo

Fe2CoGe phase diagram

.html file

Phase diagram of Fe2CoGe; e_above_hull: 0.148191 eV/atom; predicted_stable: False

4mo

Fe2CoGe (Pmm2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -28.5764 eV; energy change = -0.0556 eV; symmetry: Pmm2 → Pmm2

4mo

Fe2CoGe (Pmm2)

.cif file

Fe2CoGe (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

4mo

Fe2CoSb phase diagram

.html file

Phase diagram of Fe2CoSb; e_above_hull: 0.319536 eV/atom; predicted_stable: False

4mo

Fe2CoSb (Pmm2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.2219 eV; energy change = -0.0165 eV; symmetry: Pmm2 → Pmm2

4mo

Fe2CoSb (Pmm2)

.cif file

Fe2CoSb (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

4mo

Fe2Co4ReW phase diagram

.html file

Phase diagram of Fe2Co4ReW; e_above_hull: 0.235841 eV/atom; predicted_stable: False

4mo

Co4Fe2ReW (P4/mmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -69.3600 eV; energy change = -0.0574 eV; symmetry: P4/mmm → P4/mmm

4mo

Co4Fe2ReW (P4/mmm)

.cif file

Co4Fe2ReW (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

4mo

Fe2CoSi phase diagram 1

.html file

Phase diagram of Fe2CoSi; e_above_hull: 0.172434 eV/atom; predicted_stable: False

4mo

Fe2CoSi (Pmm2) 1 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -30.1484 eV; energy change = -0.0289 eV; symmetry: Pmm2 → Pmm2

4mo

Fe2CoSi (Pmm2) 1

.cif file

Fe2CoSi (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

4mo

FeCo2Re phase diagram

.html file

Phase diagram of FeCo2Re; e_above_hull: 0.134349 eV/atom; predicted_stable: False

4mo

Co2FeRe (Pmm2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -34.7498 eV; energy change = -0.0035 eV; symmetry: Pmm2 → Pmm2

4mo

Co2FeRe (Pmm2)

.cif file

Co2FeRe (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

4mo

FeCoNiPt phase diagram

.html file

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

4mo

FeCoNiPt (Pmmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.9506 eV; energy change = 0.0000 eV; symmetry: Pmmm → Pmmm

4mo

FeCoNiPt (Pmmm)

.cif file

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

4mo
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