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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) 1 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.8062 eV; energy change = 0.0000 eV; symmetry: Pmmm → Pmmm

4mo

FeCoNiSi (Pmmm) 1

.cif file

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

4mo

FeCoNiAlTi (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -33.0915 eV; energy change = -16.2762 eV; symmetry: P4mm → P4mm

4mo

FeCoNiAlTi (P4mm)

.cif file

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

4mo

Mn2CoSn phase diagram

.html file

Phase diagram of Mn2CoSn; e_above_hull: 0.176721 eV/atom; predicted_stable: False

4mo

Mn2CoSn (Pmm2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -28.8567 eV; energy change = -0.0031 eV; symmetry: Pmm2 → Pmm2

4mo

Mn2CoSn (Pmm2)

.cif file

Mn2CoSn (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

4mo

AlFeSiNi phase diagram

.html file

Phase diagram of AlFeSiNi; e_above_hull: 0.211802 eV/atom; predicted_stable: False

4mo

FeNiAlSi (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -24.8661 eV; energy change = -20.1781 eV; symmetry: P4mm → Pmm2

4mo

FeNiAlSi (P4mm)

.cif file

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

4mo

AlFeCoSi phase diagram

.html file

Phase diagram of AlFeCoSi; e_above_hull: 0.287201 eV/atom; predicted_stable: False

4mo

FeCoAlSi (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -25.7865 eV; energy change = -45.1489 eV; symmetry: P4mm → Pmm2

4mo

FeCoAlSi (P4mm)

.cif file

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

4mo

Mn2GaCo phase diagram

.html file

Phase diagram of Mn2GaCo; e_above_hull: 0.071653 eV/atom; predicted_stable: False

4mo

Mn2CoGa (Pmm2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -28.6976 eV; energy change = -0.0374 eV; symmetry: Pmm2 → Pmm2

4mo

Mn2CoGa (Pmm2)

.cif file

Mn2CoGa (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

4mo

GaFe2CoSi phase diagram

.html file

Phase diagram of GaFe2CoSi; e_above_hull: 0.634516 eV/atom; predicted_stable: False

4mo

Fe2CoGaSi (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.3956 eV; energy change = -2.8664 eV; symmetry: P4mm → P1

4mo

Fe2CoGaSi (P4mm)

.cif file

Fe2CoGaSi (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

4mo

TiCrMnFeNi (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -36.4363 eV; energy change = -3.2743 eV; symmetry: P4mm → P4mm

4mo
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