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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

MnAlFeCo phase diagram 4

.html file

Phase diagram of MnAlFeCo; e_above_hull: 0.107970 eV/atom; predicted_stable: False

3mo

MnAlFeCo (P4mm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.1585 eV; energy change = -0.0152 eV; symmetry: P4mm → P4mm

3mo

MnAlFeCo (P4mm)

.cif file

FeCoMnAl (space group: P4mm #99, crystal system: tetragonal, point group: 4mm) (missed expected composition: FeCoMnAl)

3mo

Fe4CoSiB2 phase diagram

.html file

Phase diagram of Fe4CoSiB2; e_above_hull: 0.418972 eV/atom; predicted_stable: False

3mo

Fe4CoSiB2 (P4/mmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -59.4669 eV; energy change = -0.0040 eV; symmetry: P4/mmm → P4/mmm

3mo

Fe4CoSiB2 (P4/mmm)

.cif file

Fe4CoSiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

3mo

TiFe4CoB2 phase diagram

.html file

Phase diagram of TiFe4CoB2; e_above_hull: 0.452247 eV/atom; predicted_stable: False

3mo

TiFe4CoB2 (P4/mmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -61.8767 eV; energy change = -0.0033 eV; symmetry: P4/mmm → P4/mmm

3mo

TiFe4CoB2 (P4/mmm)

.cif file

Fe4CoTiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe4CoTiB2)

3mo

MnFe2CoB phase diagram

.html file

Phase diagram of MnFe2CoB; e_above_hull: 0.480940 eV/atom; predicted_stable: False

3mo

MnFe2CoB (P4/mmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -38.6230 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

3mo

MnFe2CoB (P4/mmm)

.cif file

Fe2CoMnB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoMnB)

3mo

FeCo2Si phase diagram 2

.html file

Phase diagram of FeCo2Si; e_above_hull: 0.163211 eV/atom; predicted_stable: False

3mo

FeCo2Si (Pmm2) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -28.8717 eV; energy change = -0.0010 eV; symmetry: Pmm2 → Pmm2

3mo

FeCo2Si (Pmm2)

.cif file

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

3mo

VFe2CoN phase diagram

.html file

Phase diagram of VFe2CoN; e_above_hull: 0.488005 eV/atom; predicted_stable: False

3mo

VFe2CoN (P4/mmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -41.4554 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

3mo

VFe2CoN (P4/mmm)

.cif file

Fe2CoVN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoVN)

3mo

TiFe2CoB phase diagram

.html file

Phase diagram of TiFe2CoB; e_above_hull: 1.246198 eV/atom; predicted_stable: False

3mo

TiFe2CoB (P4/mmm) - relaxed

.cif file

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -34.5083 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

3mo
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