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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

Fe2CoP phase diagram

.html file

Phase diagram of Fe2CoP; e_above_hull: 0.348166 eV/atom; predicted_stable: False

4mo

Fe2CoP (Pmm2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.6510 eV; energy change = -0.0129 eV; symmetry: Pmm2 → Pmm2

4mo

Fe2CoP (Pmm2)

.cif file

Fe2CoP (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

4mo

ZrFe2Co phase diagram

.html file

Phase diagram of ZrFe2Co; e_above_hull: 0.174797 eV/atom; predicted_stable: False

4mo

Fe2CoZr (Pmmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -32.7946 eV; energy change = 0.0000 eV; symmetry: Pmmm → Pmmm

4mo

Fe2CoZr (Pmmm)

.cif file

Fe2CoZr (space group: Pmmm #47, crystal system: orthorhombic, point group: mmm)

4mo

FeCo2ReGe phase diagram

.html file

Phase diagram of FeCo2ReGe; e_above_hull: 1.397677 eV/atom; predicted_stable: False

4mo

Co2FeReGe (P4/mmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -33.4166 eV; energy change = -20.1940 eV; symmetry: P4/mmm → P1

4mo

Co2FeReGe (P4/mmm)

.cif file

Co2FeReGe (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

4mo

FeCo2GeW phase diagram

.html file

Phase diagram of FeCo2GeW; e_above_hull: 4.936318 eV/atom; predicted_stable: False

4mo

Co2FeWGe (P4/mmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -16.2055 eV; energy change = -0.0000 eV; symmetry: P4/mmm → P4/mmm

4mo

Co2FeWGe (P4/mmm)

.cif file

Co2FeWGe (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

4mo

Fe8CoB phase diagram 1

.html file

Phase diagram of Fe8CoB; e_above_hull: 0.240764 eV/atom; predicted_stable: False

4mo

Fe12Co2B (Immm) 1 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -160.1952 eV; energy change = -287.5279 eV; symmetry: Immm → P1

4mo

Fe12Co2B (Immm) 1

.cif file

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

4mo

Fe2CoNiB phase diagram

.html file

Phase diagram of Fe2CoNiB; e_above_hull: 1.118409 eV/atom; predicted_stable: False

4mo

Fe2CoNiB (P4/mmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -31.9247 eV; energy change = -0.0000 eV; symmetry: P4/mmm → P4/mmm

4mo

Fe2CoNiB (P4/mmm)

.cif file

Fe2CoNiB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

4mo

FeCo2ReW phase diagram

.html file

Phase diagram of FeCo2ReW; e_above_hull: 1.775145 eV/atom; predicted_stable: False

4mo

Co2FeReW (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 142.3702 eV; energy change = -31705.7723 eV; symmetry: P4mm → P1

4mo
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