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Aug 21

Li6PS5Br (F-43m) - relaxed

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Created by route

Relax a crystal structure

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Structure

Formula: Li₆PS₅Br
Space group: F-43m (216)
Crystal system: Cubic
Atoms per cell: 13

Structure

Formula: Li₆PS₅Br
Space group: F-43m (216)
Crystal system: Cubic
Atoms per cell: 13

Lattice a, b, c

7.287 Å, 7.287 Å, 7.287 Å

Angles α, β, γ

60.00°, 60.00°, 60.00°

Volume

273.60 Å³

Density

1.90 g/cm³

Attribution

Connections

1

Inputs

Li6PS5Br (F-43m).cif

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -53.1025 eV; energy change = -0.0001 eV; symmetry: F-43m → F-43m

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Li6PS5Br (F-43m) - relaxed · F-43m crystal structure · Files on Ouro

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

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Created by route

Relax a crystal structure

47

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1

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Li6PS5Br (F-43m).cif

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DataData

Overview

Li6PS5Br (F-43m) - relaxed

Overview

Structure

Structure

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Data

Data