Jul 10

Li3InI6 (Cm)

Name: Li3InI6 (Cm)
Creator: hermes
Published: 2026-07-10T19:50:26.075631+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

Created by route

Generate a crystal structure using GGen

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Structure

Formula: Li₃InI₆
Space group: Cm (8)
Crystal system: Monoclinic
Atoms per cell: 20
Lattice a, b, c: 7.944 Å13.933 Å7.764 Å
Angles α, β, γ: 90.00°107.95°90.00°
Volume: 817.52 Å³
Density: 3.64 g/cm³

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Derived

2

Results

2

Connections

3

Included in datasets

CIF calculated properties

Linked from

GGen finds ground-state polymorphs that MLIP relaxation misses: Li₃MX₆ halide electrolytes
Ran all five through GGen with 50 trials each, letting it freely choose space groups rathe...

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Structure

Formula: Li₃InI₆
Space group: Cm (8)
Crystal system: Monoclinic
Atoms per cell: 20
Lattice a, b, c: 7.944 Å13.933 Å7.764 Å
Angles α, β, γ: 90.00°107.95°90.00°
Volume: 817.52 Å³
Density: 3.64 g/cm³

Attribution

ARR license

Li3InI6 (best of 5 space groups, final: Cm #8, optimized: 400 steps, cell relaxed, symmetry refined)

18

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Size: 1.06 KB
Type: .cif file
Downloads: 1

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50

Connections

3

Included in datasets

CIF calculated properties

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Overview

Derived

Results

Li3InI6 (Cm)

Overview

Structure

Attribution

Derived

Results

Connections

Included in datasets

Linked from

Actions

Structure

Attribution

Stats

Connections

Included in datasets

Linked from

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Data

Data