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Overview

Version of · via DFT structure relaxation

FePt L10 (benchmark)

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inOct 22

FePt (P4/mmm) - DFT relaxed

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FePt (P4/mmm) - DFT relaxed · P4/mmm crystal structure · Files on Ouro

Overview

Version of · via DFT structure relaxation

FePt L10 (benchmark)

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Structure

Formula: FePt
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 2
Lattice a, b, c: 2.753 Å2.753 Å3.774 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 28.61 Å³
Density: 14.57 g/cm³

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Structure

Formula: FePt
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 2
Lattice a, b, c: 2.753 Å2.753 Å3.774 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 28.61 Å³
Density: 14.57 g/cm³

Attribution

Cell + ionic relaxation with ABACUS DFT; 0.04 eV/Å threshold; final energy = -6972.4614 eV; energy change = -0.0140 eV

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Size: 770 B
Type: .cif file
Downloads: 0

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Overview

FePt (P4/mmm) - DFT relaxed

Overview

Structure

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Structure

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Data

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