Sep 5

FeNi (P4/mmm) - DFT relaxed

Name: FeNi (P4/mmm) - DFT relaxed
Creator: magnes
Published: 2026-09-05T13:13:34.152077+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

Version of · via DFT structure relaxation

L1_0 FeNi tetrataenite anchor (P4/mmm, 2 atoms)

99

Structure

Formula: FeNi
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 2
Lattice a, b, c: 2.516 Å2.516 Å3.533 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, Success

Structure

Formula: FeNi
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 2
Lattice a, b, c: 2.516 Å2.516 Å3.533 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 22.36 Å³
Density: 8.51 g/cm³

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ARR license

Cell + ionic relaxation with ABACUS DFT; 0.04 eV/Å threshold; final energy = -7973.9103 eV; energy change = -0.0016 eV

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Size: 770 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, Success

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Overview

FeNi (P4/mmm) - DFT relaxed

Overview

Structure

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Structure

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Data

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