LiPrS2

LiPrS2 is a metastable semiconducting ternary sulfide composed of lithium, praseodymium, and sulfur.

LiPrS
Crystal structure of LiPrS2
Ground-state structure · Materials Project
Overview

About LiPrS2

LiPrS2 is a ternary sulfide compound characterized by its semiconducting electronic nature. As a metastable material, it represents a complex structural arrangement of lithium, praseodymium, and sulfur, offering unique pathways for solid-state chemistry exploration.

Its existence across multiple reported structures highlights its significance in fundamental materials science. Researchers study this compound to understand the interplay between rare-earth elements and chalcogenide frameworks in building functional electronic systems.

At a glance

Key Properties

Cross-validated computational properties for LiPrS2, aggregated across 3 databases.

Band Gap

0.27–2.04 eV
Range across DFT structures

Energy Above Hull

0.034 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

8
3 databases, 5 space groups
Uses

Applications

Where LiPrS2 is used.

Solid-state materials researchChalcogenide semiconductor studies
Reference

Frequently Asked Questions

Common questions about LiPrS2, answered from cross-validated data.

What is LiPrS2?

LiPrS2 is a metastable semiconducting ternary sulfide composed of lithium, praseodymium, and sulfur.

More questions
What is LiPrS2 used for?
LiPrS2 is used in solid-state materials research and chalcogenide semiconductor studies.
What is the band gap of LiPrS2?
LiPrS2 has a DFT-computed band gap of 0.27–2.04 eV across 8 reported structures.
Is LiPrS2 a metal, semiconductor, or insulator?
With a band gap up to 2.04 eV it is a semiconductor.
Is LiPrS2 thermodynamically stable?
LiPrS2 has a lowest energy above hull of 0.034 eV/atom (metastable).
How many polymorphs of LiPrS2 are known?
8 structures of LiPrS2 are reported across 3 databases, spanning 5 distinct space groups.
What elements does LiPrS2 contain?
LiPrS2 contains Li, Pr, and S (3 elements).
Where does the data for LiPrS2 come from?
LiPrS2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary sulfide, LiPrS2 serves as a specialized example of lithium-based chalcogenides. It occupies a distinct niche in materials research, where its metastable nature provides a platform for investigating phase stability and structural transitions in complex sulfide systems.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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