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@will

magnet enjoyer

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

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3917 total

Fe5SiNiB phase diagram

.html file

Phase diagram of Fe5SiNiB; e_above_hull: 0.776371 eV/atom; predicted_stable: False

4mo

Fe10Ni2Si2B2 (I4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -112.6669 eV; energy change = -231.9242 eV; symmetry: I4mm → Cc

4mo

Fe10Ni2Si2B2 (I4mm)

.cif file

Fe10Ni2Si2B2 (space group: I4mm #107, crystal system: tetragonal, point group: 4mm)

4mo

MnAlFe2Ni phase diagram 4

.html file

Phase diagram of MnAlFe2Ni; e_above_hull: 1.190918 eV/atom; predicted_stable: False

4mo

Fe2MnNiAl (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -30.8458 eV; energy change = -38.5475 eV; symmetry: P4mm → P4mm

4mo

Fe2MnNiAl (P4mm)

.cif file

Fe2MnNiAl (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

4mo

Fe7Si2(NiB)2 phase diagram

.html file

Phase diagram of Fe7Si2(NiB)2; e_above_hull: 0.329225 eV/atom; predicted_stable: False

4mo

FeCoNiPt phase diagram 3

.html file

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

4mo

FeCoNiPt-(Pmmm)-relaxed.cif

.cif file
4mo

Fe7Ni2Si2B2 (Pm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -95.4365 eV; energy change = -20.3158 eV; symmetry: Pm → Pm

4mo

Fe7Ni2Si2B2 (Pm)

.cif file

Fe7Ni2Si2B2 (space group: Pm #6, crystal system: monoclinic, point group: m)

4mo

MnCrFe3B2 phase diagram

.html file

Phase diagram of MnCrFe3B2; e_above_hull: 0.535079 eV/atom; predicted_stable: False

4mo

Fe3MnCrB2 (P3m1) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -55.8682 eV; energy change = -215.2528 eV; symmetry: P3m1 → Cm

4mo

Fe3MnCrB2 (P3m1)

.cif file

Fe3MnCrB2 (space group: P3m1 #156, crystal system: trigonal, point group: 3m)

4mo

MnAl(Fe2B)2 phase diagram

.html file

Phase diagram of MnAl(Fe2B)2; e_above_hull: 0.396484 eV/atom; predicted_stable: False

4mo

Fe4MnAlB2 (P4/mmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -59.5542 eV; energy change = -0.0039 eV; symmetry: P4/mmm → P4/mmm

4mo

Fe4MnAlB2 (P4/mmm)

.cif file

Fe4MnAlB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

4mo

GaFe2Ni phase diagram

.html file

Phase diagram of GaFe2Ni; e_above_hull: 0.090759 eV/atom; predicted_stable: False

4mo

Fe2NiGa (Pmm2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -26.1274 eV; energy change = -0.0471 eV; symmetry: Pmm2 → Pmm2

4mo

Fe2NiGa (Pmm2)

.cif file

Fe2NiGa (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

4mo
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