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template-Sr3Mn2O7 - relaxed

Name: template-Sr3Mn2O7 - relaxed
Creator: will
Published: 2026-06-28T13:32:12.671608+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

Version of · via Relax a crystal structure

template-Sr3Mn2O7

1414

Structure

Formula: Sr₃Mn₂O₇
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 12
Lattice a, b, c: 3.880 Å3.880 Å10.504 Å
Angles α, β, γ: 100.64°100.64°90.00°
Volume: 152.65 Å³
Density: 5.27 g/cm³

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CIF calculated properties

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Calculate energy above the convex hull, Success

Structure

Formula: Sr₃Mn₂O₇
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 12
Lattice a, b, c: 3.880 Å3.880 Å10.504 Å
Angles α, β, γ: 100.64°100.64°90.00°
Volume: 152.65 Å³
Density: 5.27 g/cm³

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -80.9760 eV; energy change = 0.0000 eV; symmetry: I4/mmm → I4/mmm

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

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Connections

1

Included in datasets

CIF calculated properties

Actions

Calculate energy above the convex hull, Success

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Overview

template-Sr3Mn2O7 - relaxed

Overview

Structure

Attribution

Connections

Included in datasets

Actions

Structure

Attribution

Stats

Connections

Included in datasets

Actions

Data

Data