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Overview

Version of · via Relax a crystal structure

template-Fe(HS)2

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inJun 29

template-Fe(HS)2 - relaxed

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template-Fe(HS)2 - relaxed · FeH2S2 P-3m1 crystal structure · Files on Ouro

Overview

Version of · via Relax a crystal structure

template-Fe(HS)2

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Structure

Formula: FeH₂S₂
Space group: P-3m1 (164)
Crystal system: Trigonal
Atoms per cell: 5
Lattice a, b, c: 3.485 Å3.490 Å6.505 Å
Angles α, β, γ: 89.87°89.88°60.00°
Volume: 68.51 Å³
Density: 2.96 g/cm³

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RE-free permanent magnet candidates

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Structure

Formula: FeH₂S₂
Space group: P-3m1 (164)
Crystal system: Trigonal
Atoms per cell: 5
Lattice a, b, c: 3.485 Å3.490 Å6.505 Å
Angles α, β, γ: 89.87°89.88°60.00°
Volume: 68.51 Å³
Density: 2.96 g/cm³

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -24.1586 eV; energy change = -8.8946 eV; symmetry: P-3m1 → P-3m1

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Size: 824 B
Type: .cif file
Downloads: 0

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RE-free permanent magnet candidates

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Overview

template-Fe(HS)2 - relaxed

Overview

Structure

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Structure

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