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Li2ZnGe F-43m inverse Heusler - relaxed

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Version of · via Relax a crystal structure

Li2ZnGe F-43m inverse Heusler

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Structure

Formula: Li₂ZnGe
Space group: F-43m (216)
Crystal system: Cubic
Atoms per cell: 16
Lattice a, b, c: 6.170 Å6.170 Å6.171 Å
Angles α, β, γ: 90.00°90.00°90.01°
Volume: 234.94 Å³
Density: 4.29 g/cm³

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Li2ZnGe phase diagram.html
Calculate energy above the convex hull

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Structure

Formula: Li₂ZnGe
Space group: F-43m (216)
Crystal system: Cubic
Atoms per cell: 16
Lattice a, b, c: 6.170 Å6.170 Å6.171 Å
Angles α, β, γ: 90.00°90.00°90.01°
Volume: 234.94 Å³
Density: 4.29 g/cm³

Attribution

ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -43.9895 eV; energy change = -0.1312 eV; symmetry: F-43m → F-43m

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Size: 1.26 KB
Type: .cif file
Downloads: 1

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Li2ZnGe F-43m inverse Heusler - relaxed

Overview

Structure

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Derived

Results

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Structure

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