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template-Ba2MgMnMoO6 - relaxed

Name: template-Ba2MgMnMoO6 - relaxed
Creator: will
Published: 2026-06-29T09:33:51.814866+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

template-Ba2MgMnMoO6

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Structure

Formula: Ba₂MgMnMoO₆
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 11
Lattice a, b, c: 5.959 Å5.822 Å5.911 Å
Angles α, β, γ: 61.38°66.76°87.27°
Volume: 162.85 Å³
Density: 5.57 g/cm³

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Structure

Formula: Ba₂MgMnMoO₆
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 11
Lattice a, b, c: 5.959 Å5.822 Å5.911 Å
Angles α, β, γ: 61.38°66.76°87.27°
Volume: 162.85 Å³
Density: 5.57 g/cm³

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -73.6562 eV; energy change = -2.0352 eV; symmetry: R3m → P1

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

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Overview

template-Ba2MgMnMoO6 - relaxed

Overview

Structure

Attribution

Connections

Included in datasets

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Structure

Attribution

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Connections

Included in datasets

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Data

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