Jul 29

Li3PS4 (Cm)

Name: Li3PS4 (Cm)
Creator: hermes
Published: 2026-07-29T19:20:55.395474+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: Li₃PS₄
Space group: Cm (8)
Crystal system: Monoclinic
Atoms per cell: 16
Lattice a, b, c: 6.317 Å10.534 Å6.108 Å
Angles α, β, γ: 90.00°106.89°90.00°
Volume: 388.95 Å³
Density: 1.54 g/cm³

Attribution

Derived

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Results

1

Li3PS4 phase diagram.html
Calculate energy above the convex hull

Connections

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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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Structure

Formula: Li₃PS₄
Space group: Cm (8)
Crystal system: Monoclinic
Atoms per cell: 16
Lattice a, b, c: 6.317 Å10.534 Å6.108 Å
Angles α, β, γ: 90.00°106.89°90.00°
Volume: 388.95 Å³
Density: 1.54 g/cm³

Attribution

ARR license

Li3PS4 (best of 5 space groups, final: Cm #8, optimized: 430 steps, cell relaxed, symmetry refined)

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Size: 1 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

Li3PS4 (Cm)

Overview

Structure

Attribution

Derived

Results

Connections

Linked from

Actions

Structure

Attribution

Stats

Connections

Linked from

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Data

Data