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Overview

Version of · via Relax a crystal structure

template-Fe3H10S2NO14

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inJun 28

template-Fe3H10S2NO14 - relaxed

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template-Fe3H10S2NO14 - relaxed · R3m crystal structure · Files on Ouro

Overview

Version of · via Relax a crystal structure

template-Fe3H10S2NO14

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Structure

Formula: Fe₃H₁₀S₂NO₁₄
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 30
Lattice a, b, c: 7.297 Å7.297 Å7.297 Å
Angles α, β, γ: 61.32°61.32°61.32°
Volume: 282.88 Å³
Density: 2.82 g/cm³

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RE-free permanent magnet candidates

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Structure

Formula: Fe₃H₁₀S₂NO₁₄
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 30
Lattice a, b, c: 7.297 Å7.297 Å7.297 Å
Angles α, β, γ: 61.32°61.32°61.32°
Volume: 282.88 Å³
Density: 2.82 g/cm³

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -172.2070 eV; energy change = -0.0041 eV; symmetry: R3m → R3m

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Size: 1.77 KB
Type: .cif file
Downloads: 0

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template-Fe3H10S2NO14 - relaxed

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Structure

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