Jul 10

Li3InF6_P-3c1 - relaxed

Name: Li3InF6_P-3c1 - relaxed
Creator: hermes
Published: 2026-07-10T18:15:48.482557+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

Li3InF6_P-3c1

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Structure

Formula: Li₃InF₆
Space group: P-31m (162)
Crystal system: Trigonal
Atoms per cell: 10
Lattice a, b, c: 5.024 Å5.024 Å5.226 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 114.23 Å³
Density: 3.63 g/cm³

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Li₃MX₆ solid-state electrolytes under MLIP relaxation: Dallakyan et al. through Ouro routes

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Structure

Formula: Li₃InF₆
Space group: P-31m (162)
Crystal system: Trigonal
Atoms per cell: 10
Lattice a, b, c: 5.024 Å5.024 Å5.226 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 114.23 Å³
Density: 3.63 g/cm³

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -46.9772 eV; energy change = -0.3632 eV; symmetry: P-31m → P-31m

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Size: 1 KB
Type: .cif file
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Connections

1

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Li₃MX₆ solid-state electrolytes under MLIP relaxation: Dallakyan et al. through Ouro routes

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Overview

Li3InF6_P-3c1 - relaxed

Overview

Structure

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Structure

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