May 9

TiMnSi C14 Laves reference CIF (P6₃/mmc, Mn on 2d) - relaxed

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Version of · via Relax a crystal structure

TiMnSi C14 Laves reference CIF (P6₃/mmc, Mn on 2d)

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Structure

Formula: Ti₂MnSi₃
Space group: Pm (6)
Crystal system: Monoclinic
Atoms per cell: 12
Lattice a, b, c: 6.562 Å7.073 Å5.438 Å
Angles α, β, γ: 89.97°90.02°138.32°
Volume: 167.85 Å³
Density: 4.65 g/cm³

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RE-free permanent magnet candidates

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Structure

Formula: Ti₂MnSi₃
Space group: Pm (6)
Crystal system: Monoclinic
Atoms per cell: 12
Lattice a, b, c: 6.562 Å7.073 Å5.438 Å
Angles α, β, γ: 89.97°90.02°138.32°
Volume: 167.85 Å³
Density: 4.65 g/cm³

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -87.2360 eV; energy change = -26.8694 eV; symmetry: P6_3/mmc → Pm

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Size: 1.09 KB
Type: .cif file
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1

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RE-free permanent magnet candidates

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TiMnSi C14 Laves reference CIF (P6₃/mmc, Mn on 2d) - relaxed

Overview

Structure

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Structure

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