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template-MgMn2(NiO3)2 - relaxed

Name: template-MgMn2(NiO3)2 - relaxed
Creator: will
Published: 2026-06-28T21:16:25.103418+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

template-MgMn2(NiO3)2

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Structure

Formula: MgMn₂Ni₂O₆
Space group: P-1 (2)
Crystal system: Triclinic
Atoms per cell: 11
Lattice a, b, c: 5.752 Å5.955 Å5.655 Å
Angles α, β, γ: 54.41°53.27°51.03°
Volume: 113.91 Å³
Density: 5.07 g/cm³

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RE-free permanent magnet candidates

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Structure

Formula: MgMn₂Ni₂O₆
Space group: P-1 (2)
Crystal system: Triclinic
Atoms per cell: 11
Lattice a, b, c: 5.752 Å5.955 Å5.655 Å
Angles α, β, γ: 54.41°53.27°51.03°
Volume: 113.91 Å³
Density: 5.07 g/cm³

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -68.2061 eV; energy change = -0.3718 eV; symmetry: R-3 → P-1

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Size: 1.05 KB
Type: .cif file
Downloads: 0

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Connections

1

Included in datasets

RE-free permanent magnet candidates

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Overview

template-MgMn2(NiO3)2 - relaxed

Overview

Structure

Attribution

Connections

Included in datasets

Actions

Structure

Attribution

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Included in datasets

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Data

Data