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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

Fe4MnSiB2 (P4/mmm) 4 - 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) 4

.cif file

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

4mo

MnFe2SiNi phase diagram 2

.html file

Phase diagram of MnFe2SiNi; e_above_hull: 40.241687 eV/atom; predicted_stable: False

4mo

Fe2NiMnSi (P4mm) 2 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 152.6071 eV; energy change = -54973.9163 eV; symmetry: P4mm → P1

4mo

Fe2NiMnSi (P4mm) 2

.cif file

Fe2NiMnSi (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

4mo

AlFe2SiNi phase diagram 1

.html file

Phase diagram of AlFe2SiNi; e_above_hull: 1.143848 eV/atom; predicted_stable: False

4mo

Fe2NiAlSi (P4mm) 1 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -28.5718 eV; energy change = -5107.2696 eV; symmetry: P4mm → Pmm2

4mo

Fe2NiAlSi (P4mm) 1

.cif file

Fe2NiAlSi (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

4mo

AlFe2Ni phase diagram 1

.html file

Phase diagram of AlFe2Ni; e_above_hull: 0.112198 eV/atom; predicted_stable: False

4mo

Fe2NiAl (Pmm2) 2 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.2435 eV; energy change = -0.0138 eV; symmetry: Pmm2 → Pmm2

4mo

Fe2NiAl (Pmm2) 2

.cif file

Fe2NiAl (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

4mo

Fe5SiB2 phase diagram 2

.html file

Phase diagram of Fe5SiB2; e_above_hull: 0.376405 eV/atom; predicted_stable: False

4mo

Fe5SiB2 (P4/mmm) 3 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -60.9533 eV; energy change = -0.0150 eV; symmetry: P4/mmm → P4/mmm

4mo

Fe5SiB2 (P4/mmm) 3

.cif file

Fe5SiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

4mo

Fe4SiNiB2 phase diagram 2

.html file

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

4mo

Fe4NiSiB2 (P4/mmm) 2 - 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) 2

.cif file

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

4mo

MnFe2Ni phase diagram

.html file

Phase diagram of MnFe2Ni; e_above_hull: 0.066408 eV/atom; predicted_stable: False

4mo

Fe2NiMn (Pmm2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -31.6444 eV; energy change = -0.0024 eV; symmetry: Pmm2 → Pmm2

4mo

Fe2NiMn (Pmm2)

.cif file

Fe2NiMn (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

4mo
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