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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

Fe11Co3B phase diagram

.html file

Phase diagram of Fe11Co3B; e_above_hull: 0.360276 eV/atom; predicted_stable: False

4mo

Fe11Co3B (Pmmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -117.0295 eV; energy change = -0.0759 eV; symmetry: Pmmm → Pmm2

4mo

Fe11Co3B (Pmmm)

.cif file

Fe11Co3B (space group: Pmmm #47, crystal system: orthorhombic, point group: mmm)

4mo

Fe8CoB phase diagram

.html file

Phase diagram of Fe8CoB; e_above_hull: 0.240533 eV/atom; predicted_stable: False

4mo

Fe12Co2B (Immm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -160.1998 eV; energy change = -287.5325 eV; symmetry: Immm → P1

4mo

Fe12Co2B (Immm)

.cif file

Fe12Co2B (space group: Immm #71, crystal system: orthorhombic, point group: mmm)

4mo

FeCoGePt phase diagram

.html file

Phase diagram of FeCoGePt; e_above_hull: 3.627911 eV/atom; predicted_stable: False

4mo

FeCoPtGe (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -12.7741 eV; energy change = -65.6711 eV; symmetry: P4mm → P4/mmm

4mo

FeCoPtGe (P4mm)

.cif file

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

4mo

FeCo2Re phase diagram 1

.html file

Phase diagram of FeCo2Re; e_above_hull: 0.134349 eV/atom; predicted_stable: False

4mo

Co2FeRe (Pmm2) 1 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -34.7498 eV; energy change = -0.0035 eV; symmetry: Pmm2 → Pmm2

4mo

Co2FeRe (Pmm2) 1

.cif file

Co2FeRe (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

4mo

Fe2CoSiNi phase diagram

.html file

Phase diagram of Fe2CoSiNi; e_above_hull: 1.404220 eV/atom; predicted_stable: False

4mo

Fe2CoNiSi (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 200.8004 eV; energy change = -54741.7934 eV; symmetry: P4mm → P1

4mo

Fe2CoNiSi (P4mm)

.cif file

Fe2CoNiSi (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

4mo

FeCo2Si phase diagram 1

.html file

Phase diagram of FeCo2Si; e_above_hull: 0.163252 eV/atom; predicted_stable: False

4mo

Co2FeSi (Pmm2) 1 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -28.8711 eV; energy change = -0.0007 eV; symmetry: Pmm2 → Pmm2

4mo

Co2FeSi (Pmm2) 1

.cif file

Co2FeSi (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

4mo

FeCo2SiGe phase diagram

.html file

Phase diagram of FeCo2SiGe; e_above_hull: 0.696100 eV/atom; predicted_stable: False

4mo

Co2FeGeSi (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -30.9653 eV; energy change = -0.7058 eV; symmetry: P4mm → P4mm

4mo
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