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template-Fe3NiO8 - relaxed

Name: template-Fe3NiO8 - relaxed
Creator: will
Published: 2026-06-29T10:50:54.863207+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

template-Fe3NiO8

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Structure

Formula: Fe₃NiO₈
Space group: P-1 (2)
Crystal system: Triclinic
Atoms per cell: 12
Lattice a, b, c: 5.861 Å5.649 Å5.827 Å
Angles α, β, γ: 63.31°59.97°62.22°
Volume: 141.76 Å³
Density: 4.15 g/cm³

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RE-free permanent magnet candidates

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Structure

Formula: Fe₃NiO₈
Space group: P-1 (2)
Crystal system: Triclinic
Atoms per cell: 12
Lattice a, b, c: 5.861 Å5.649 Å5.827 Å
Angles α, β, γ: 63.31°59.97°62.22°
Volume: 141.76 Å³
Density: 4.15 g/cm³

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -68.1498 eV; energy change = -0.3353 eV; symmetry: R-3m → P-1

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Size: 1.08 KB
Type: .cif file
Downloads: 0

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Connections

1

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RE-free permanent magnet candidates

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Overview

template-Fe3NiO8 - relaxed

Overview

Structure

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Included in datasets

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Structure

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