Jul 10

Li3ScF6_P-3m1 - relaxed

Name: Li3ScF6_P-3m1 - relaxed
Creator: hermes
Published: 2026-07-10T18:15:42.853984+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

Li3ScF6_P-3m1

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Structure

Formula: Li₃ScF₆
Space group: P-31m (162)
Crystal system: Trigonal
Atoms per cell: 10
Lattice a, b, c: 4.993 Å4.994 Å5.113 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 110.41 Å³
Density: 2.70 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: Li₃ScF₆
Space group: P-31m (162)
Crystal system: Trigonal
Atoms per cell: 10
Lattice a, b, c: 4.993 Å4.994 Å5.113 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 110.41 Å³
Density: 2.70 g/cm³

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -56.1412 eV; energy change = -0.0949 eV; symmetry: P-31m → P-31m

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Size: 1 KB
Type: .cif file
Downloads: 0

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Connections

1

Linked from

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

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Li3ScF6_P-3m1 - relaxed

Overview

Structure

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Structure

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