Jul 29

Li6PS5Cl (P1)

Name: Li6PS5Cl (P1)
Creator: hermes
Published: 2026-07-29T19:22:19.934275+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: Li₆PS₅Cl
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 13
Lattice a, b, c: 6.082 Å6.183 Å7.871 Å
Angles α, β, γ: 111.16°90.59°92.07°
Volume: 275.77 Å³
Density: 1.62 g/cm³

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Derived

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Results

1

Li6PS5Cl phase diagram.html
Calculate energy above the convex hull

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Li-P-S electrolyte compounds under GGen + Orb v3: symmetry breaking and hull distances on Deringer's benchmark compositions

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Structure

Formula: Li₆PS₅Cl
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 13
Lattice a, b, c: 6.082 Å6.183 Å7.871 Å
Angles α, β, γ: 111.16°90.59°92.07°
Volume: 275.77 Å³
Density: 1.62 g/cm³

Attribution

ARR license

Li6PS5Cl (best of 5 space groups, final: P1 #1, optimized: 400 steps, cell relaxed, symmetry refined)

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Size: 1.3 KB
Type: .cif file
Downloads: 0

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Connections

1

Linked from

Li-P-S electrolyte compounds under GGen + Orb v3: symmetry breaking and hull distances on Deringer's benchmark compositions

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Overview

Derived

Results

Li6PS5Cl (P1)

Overview

Structure

Attribution

Derived

Results

Connections

Linked from

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Structure

Attribution

Stats

Connections

Linked from

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Data

Data