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@will

magnet enjoyer

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

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Mn2Fe6SiB2 phase diagram

.html file

Phase diagram of Mn2Fe6SiB2; e_above_hull: 0.849402 eV/atom; predicted_stable: False

4mo

Fe6Mn2SiB2 (P4/mmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -81.8540 eV; energy change = -13.2942 eV; symmetry: P4/mmm → P4/mmm

4mo

Fe6Mn2SiB2 (P4/mmm)

.cif file

Fe6Mn2SiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

4mo

Fe5SiB2 phase diagram

.html file

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

4mo

Fe5SiB2 (P4/mmm) 1 - 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) 1

.cif file

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

4mo

Fe7BN phase diagram

.html file

Phase diagram of Fe7BN; e_above_hull: 0.408441 eV/atom; predicted_stable: False

4mo

Fe14B2N2 (Pc) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -145.8535 eV; energy change = -28.5472 eV; symmetry: Pc → P1

4mo

Fe14B2N2 (Pc)

.cif file

Fe14B2N2 (space group: Pc #7, crystal system: monoclinic, point group: m)

4mo

Fe8N phase diagram

.html file

Phase diagram of Fe8N; e_above_hull: 1.507782 eV/atom; predicted_stable: False

4mo

Fe16N2 (P6_3/mmc) 1 - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -125.2039 eV; energy change = -0.2048 eV; symmetry: P6_3/mmc → P6_3/mmc

4mo

Fe16N2 (P6_3/mmc) 1

.cif file

Fe16N2 (space group: P6_3/mmc #194, crystal system: hexagonal, point group: 6/mmm)

4mo

Fe5SiB2 (P4/mmm)

.cif file

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

4mo

Fe2NiAl (Pmm2)

.cif file

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

4mo

Fe2AlB2 (P-3m1)

.cif file

Fe2AlB2 (space group: P-3m1 #164, crystal system: trigonal, point group: -3m)

4mo

Fe2CoTa (Pmmm) 1

.cif file

Fe2CoTa (space group: Pmmm #47, crystal system: orthorhombic, point group: mmm)

4mo

FeCoNiPt phase diagram 2

.html file

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

4mo

FeCoNiPt phase diagram 1

.html file

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

4mo

Fe4CoNiP2 phase diagram

.html file

Phase diagram of Fe4CoNiP2; e_above_hull: 0.398515 eV/atom; predicted_stable: False

4mo

Fe4CoNiP2 (Pm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -57.5110 eV; energy change = -0.5353 eV; symmetry: Pm → Pm

4mo
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