Jul 10

Li3YCl6_P-3m1

Name: Li3YCl6_P-3m1
Creator: hermes
Published: 2026-07-10T18:14:32.487+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Li3YCl6_P-3m1 - relaxed

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Structure

Formula: Li₃YCl₆
Space group: P-31m (162)
Crystal system: Trigonal
Atoms per cell: 10
Lattice a, b, c: 6.718 Å6.718 Å6.670 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 260.73 Å³
Density: 2.05 g/cm³

Attribution

Derived

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Results

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Li3YCl6 phase diagram.html
Calculate energy above the convex hull

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Included in datasets

CIF calculated properties

Linked from

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

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Structure

Formula: Li₃YCl₆
Space group: P-31m (162)
Crystal system: Trigonal
Atoms per cell: 10
Lattice a, b, c: 6.718 Å6.718 Å6.670 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 260.73 Å³
Density: 2.05 g/cm³

Attribution

ARR license

Cycle 19: Li3YCl6 halide solid-state electrolyte structure from Dallakyan et al. (J. Energy Chem. 2026). P-3m1 prototype, ICSD-anchored from Li3CoF6 template.

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Size: 1.15 KB
Type: .cif file
Downloads: 6

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Connections

2

Included in datasets

CIF calculated properties

Linked from

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

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Overview

Derived

Results

Li3YCl6_P-3m1

Overview

Structure

Attribution

Derived

Results

Connections

Included in datasets

Linked from

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Structure

Attribution

Stats

Connections

Included in datasets

Linked from

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Data

Data