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template-Sr2CuNiSO3 1 - relaxed

Name: template-Sr2CuNiSO3 1 - relaxed
Creator: will
Published: 2026-06-29T21:01:44.576191+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

template-Sr2CuNiSO3 1

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Structure

Formula: Sr₂CuNiSO₃
Space group: P4/nmm (129)
Crystal system: Tetragonal
Atoms per cell: 16
Lattice a, b, c: 3.891 Å3.891 Å16.062 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 243.16 Å³
Density: 5.16 g/cm³

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Sr2CuNiSO3 phase diagram 1.html
Calculate energy above the convex hull

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Structure

Formula: Sr₂CuNiSO₃
Space group: P4/nmm (129)
Crystal system: Tetragonal
Atoms per cell: 16
Lattice a, b, c: 3.891 Å3.891 Å16.062 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 243.16 Å³
Density: 5.16 g/cm³

Attribution

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -84.4141 eV; energy change = -0.1484 eV; symmetry: P4/nmm → P4/nmm

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Size: 1.25 KB
Type: .cif file
Downloads: 0

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Overview

Derived

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template-Sr2CuNiSO3 1 - relaxed

Overview

Structure

Attribution

Derived

Results

Connections

Included in datasets

Actions

Structure

Attribution

Stats

Connections

Included in datasets

Actions

Data

Data