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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

NiMnFeSi (Pmmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.7889 eV; energy change = 0.0000 eV; symmetry: Pmmm → Pmmm

4mo

NiMnFeSi (Pmmm)

.cif file

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

4mo

MnFe4SiB2 phase diagram 1

.html file

Phase diagram of MnFe4SiB2; e_above_hull: 0.441857 eV/atom; predicted_stable: False

4mo

Fe4MnSiB2 (P4/mmm) 1 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -61.2611 eV; energy change = -0.0030 eV; symmetry: P4/mmm → P4/mmm

4mo

Fe4MnSiB2 (P4/mmm) 1

.cif file

Fe4MnSiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

4mo

MnFe2NiGe phase diagram

.html file

Phase diagram of MnFe2NiGe; e_above_hull: 4.725309 eV/atom; predicted_stable: False

4mo

Fe2NiMnGe (P4/mmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -13.5566 eV; energy change = -0.0000 eV; symmetry: P4/mmm → P4/mmm

4mo

Fe2NiMnGe (P4/mmm)

.cif file

Fe2NiMnGe (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

4mo

MnAlFe2Ni phase diagram 1

.html file

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

4mo

Fe2NiMnAl (P4mm) 1 - 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

Fe2NiMnAl (P4mm) 1

.cif file

Fe2NiMnAl (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

4mo

Fe2NiSiAl (P4mm)

.cif file

Fe2NiSiAl (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

4mo

Fe6NiBN phase diagram

.html file

Phase diagram of Fe6NiBN; e_above_hull: 0.394170 eV/atom; predicted_stable: False

4mo

Fe12Ni2B2N2 (Imm2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -131.6204 eV; energy change = -129.0832 eV; symmetry: Imm2 → Pc

4mo

Fe12Ni2B2N2 (Imm2)

.cif file

Fe12Ni2B2N2 (space group: Imm2 #44, crystal system: orthorhombic, point group: mm2)

4mo

MnAlFeNi phase diagram

.html file

Phase diagram of MnAlFeNi; e_above_hull: 0.117791 eV/atom; predicted_stable: False

4mo

FeNiMnAl (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.8963 eV; energy change = -0.1427 eV; symmetry: P4mm → P4mm

4mo

FeNiMnAl (P4mm)

.cif file

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

4mo

Fe4SiNiB2 phase diagram

.html file

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

4mo

Fe4NiSiB2 (P4/mmm) - 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
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