La2MgS4

La2MgS4 is a metastable semiconducting sulfide compound containing lanthanum and magnesium.

LaMgS
Crystal structure of La2MgS4
Ground-state structure · Materials Project
Overview

About La2MgS4

La2MgS4 is a ternary sulfide compound composed of lanthanum, magnesium, and sulfur. As a semiconducting material, it represents a complex arrangement of elements that offers unique electronic properties for researchers investigating new functional chalcogenides.

Although it is classified as a metastable phase, the compound has been identified across multiple structural databases, highlighting significant interest in its formation. Its existence in various structural configurations suggests a flexible lattice that may be tuned for specific electronic or optical applications.

At a glance

Key Properties

Cross-validated computational properties for La2MgS4, aggregated across 3 databases.

Band Gap

1.68–2.89 eV
Range across DFT structures

Energy Above Hull

0.052 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

24
3 databases, 5 space groups
Uses

Applications

Where La2MgS4 is used.

Materials science researchSemiconductor developmentChalcogenide structural analysis
Reference

Frequently Asked Questions

Common questions about La2MgS4, answered from cross-validated data.

What is La2MgS4?

La2MgS4 is a metastable semiconducting sulfide compound containing lanthanum and magnesium.

More questions
What is La2MgS4 used for?
La2MgS4 is used in materials science research, semiconductor development, and chalcogenide structural analysis.
What is the band gap of La2MgS4?
La2MgS4 has a DFT-computed band gap of 1.68–2.89 eV across 24 reported structures.
Is La2MgS4 a metal, semiconductor, or insulator?
With a band gap up to 2.89 eV it is a semiconductor.
Is La2MgS4 thermodynamically stable?
La2MgS4 has a lowest energy above hull of 0.052 eV/atom (metastable).
How many polymorphs of La2MgS4 are known?
24 structures of La2MgS4 are reported across 3 databases, spanning 5 distinct space groups.
What elements does La2MgS4 contain?
La2MgS4 contains La, Mg, and S (3 elements).
Where does the data for La2MgS4 come from?
La2MgS4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a member of the broader class of ternary lanthanum-based sulfides, La2MgS4 serves as a specialized example of how divalent cations like magnesium can influence the structural landscape of rare-earth chalcogenides. Its metastable nature distinguishes it from more common, highly stable binary sulfides, positioning it as a subject of interest for synthesis studies and phase-stability research.

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

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