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@will

magnet enjoyer

1860 XPLevel 19
4 followers1 following
3.96K files0 datasets0 services14 posts

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Fe4SiNiB2 phase diagram 3

.html file

Phase diagram of Fe4SiNiB2; e_above_hull: 0.425305 eV/atom; predicted_stable: False

4mo

Fe4NiSiB2 (P4/mmm) 3 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -58.0954 eV; energy change = -0.0721 eV; symmetry: P4/mmm → P4/mmm

4mo

Fe4NiSiB2 (P4/mmm) 3

.cif file

Fe4NiSiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

4mo

Mn2GaFeSi phase diagram

.html file

Phase diagram of Mn2GaFeSi; e_above_hull: 1.582858 eV/atom; predicted_stable: False

4mo

Mn2FeGaSi (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -24.1579 eV; energy change = -5.3676 eV; symmetry: P4mm → P4mm

4mo

Mn2FeGaSi (P4mm)

.cif file

Mn2FeGaSi (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

4mo

MnFe3SiB2 phase diagram

.html file

Phase diagram of MnFe3SiB2; e_above_hull: 0.602096 eV/atom; predicted_stable: False

4mo

Fe3MnSiB2 (Pm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -52.0036 eV; energy change = -5.5470 eV; symmetry: Pm → Pm

4mo

Fe3MnSiB2 (Pm)

.cif file

Fe3MnSiB2 (space group: Pm #6, crystal system: monoclinic, point group: m)

4mo

MnFe3NiB phase diagram

.html file

Phase diagram of MnFe3NiB; e_above_hull: 0.545744 eV/atom; predicted_stable: False

4mo

Fe3MnNiB (P-6m2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -44.8849 eV; energy change = -0.2549 eV; symmetry: P-6m2 → P-6m2

4mo

Fe3MnNiB (P-6m2)

.cif file

Fe3MnNiB (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)

4mo

MnFe2NiB phase diagram

.html file

Phase diagram of MnFe2NiB; e_above_hull: 1.133738 eV/atom; predicted_stable: False

4mo

Fe2MnNiB (P4/mmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -34.0579 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

4mo

Fe2MnNiB (P4/mmm)

.cif file

Fe2MnNiB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

4mo

Fe3Si(NiB)2 phase diagram

.html file

Phase diagram of Fe3Si(NiB)2; e_above_hull: 0.476466 eV/atom; predicted_stable: False

4mo

Fe3Ni2SiB2 (Pm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -55.2194 eV; energy change = -12.9130 eV; symmetry: Pm → Pm

4mo

Fe3Ni2SiB2 (Pm)

.cif file

Fe3Ni2SiB2 (space group: Pm #6, crystal system: monoclinic, point group: m)

4mo

MnAlFe2B phase diagram 1

.html file

Phase diagram of MnAlFe2B; e_above_hull: 0.245445 eV/atom; predicted_stable: False

4mo

Fe2MnAlB (P4/mmm) 1 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -36.9679 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

4mo
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