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Li6PS5I (F-43m) - relaxed 1 · F-43m crystal structure · Files on Ouro

Aug 21

Li6PS5I (F-43m) - relaxed 1

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Created by route

Relax a crystal structure

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Structure

Formula: Li₆PS₅I
Space group: F-43m (216)
Crystal system: Cubic
Atoms per cell: 13

Structure

Formula: Li₆PS₅I
Space group: F-43m (216)
Crystal system: Cubic
Atoms per cell: 13

Lattice a, b, c

7.321 Å, 7.321 Å, 7.321 Å

Angles α, β, γ

60.00°, 60.00°, 60.00°

Volume

277.45 Å³

Density

2.15 g/cm³

Attribution

Connections

1

Inputs

Li6PS5I (F-43m).cif

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Cell + Ionic relaxation with CHGNet; 0.03 eV/Å threshold; final energy = -55.5120 eV; energy change = -0.0049 eV; symmetry: F-43m → F-43m

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Size: 1.12 KB
Type: .cif file
Downloads: 0

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Created by route

Relax a crystal structure

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1

Inputs

Li6PS5I (F-43m).cif

DataData

DataData

Overview

Li6PS5I (F-43m) - relaxed 1

Overview

Structure

Structure

Attribution

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Connections

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Data

Data