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Overview

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Jul 10

Li3YCl6 (C2/m)

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Overview

Created by route

Generate a crystal structure using GGen

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Structure

Formula: Li₃YCl₆
Space group: C2/m (12)
Crystal system: Monoclinic
Atoms per cell: 20

Structure

Formula: Li₃YCl₆
Space group: C2/m (12)
Crystal system: Monoclinic
Atoms per cell: 20

Lattice a, b, c

6.525 Å, 11.254 Å, 6.624 Å

Angles α, β, γ

90.00°, 110.20°, 90.00°

Volume

456.51 Å³

Density

2.35 g/cm³

Attribution

Connections

4

Derived assets

Li3YCl6 phase diagram 1.html

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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Li3YCl6 (best of 5 space groups, final: C2/m #12, optimized: 401 steps, cell relaxed, symmetry refined)

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Li3YCl6 (C2/m) · C2/m crystal structure · Files on Ouro

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Size: 1.05 KB
Type: .cif file
Downloads: 4

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47

Created by route

Generate a crystal structure using GGen

Connections

4

Derived assets

Li3YCl6 phase diagram 1.html

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...

DataData

DataData

Overview

Li3YCl6 (C2/m)

Overview

Structure

Structure

Attribution

Connections

Derived assets

Included in datasets

Linked from

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Stats

Connections

Derived assets

Included in datasets

Linked from

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Data

Data