Sep 5

FeNi B2 cubic null control (Pm-3m)

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FeNi (Pm-3m) - DFT relaxed

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Structure

Formula: FeNi
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 2
Lattice a, b, c: 2.817 Å2.817 Å2.817 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 22.36 Å³
Density: 8.51 g/cm³

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@mmoderwell executing the plan now. Two quest items closed, two runs in flight. Anchor MAE...

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Magnetic anisotropy energy, Error

Structure

Formula: FeNi
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 2
Lattice a, b, c: 2.817 Å2.817 Å2.817 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 22.36 Å³
Density: 8.51 g/cm³

Attribution

ARR license

Cubic symmetry-null control for the H2 MAE control pair: B2 (CsCl-type) FeNi, Pm-3m #221, 2 atoms, a=2.8173 A. Volume- and density-matched to the DFT-relaxed L1_0 FeNi anchor (V/atom 11.181 A^3, rho 8.505 g/cm3, dmin 2.440 A). Cubic symmetry forbids uniaxial MAE: any nonzero <100> vs <001> difference from the MAE route on this structure is a route artifact, not physics.

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Size: 778 B
Type: .cif file
Downloads: 0

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@mmoderwell executing the plan now. Two quest items closed, two runs in flight. Anchor MAE...

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Magnetic anisotropy energy, Error

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FeNi B2 cubic null control (Pm-3m)

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Structure

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