Ga2Li1Sc1

Ga2Li1Sc1 is a semiconducting ternary compound of gallium, lithium, and scandium that exists as a metastable phase.

GaLiSc
Crystal structure of Ga2Li1Sc1
Ground-state structure · Materials Project
Overview

About Ga2Li1Sc1

Ga2Li1Sc1 is a complex ternary compound composed of gallium, lithium, and scandium. It exhibits semiconducting electronic properties, positioning it within a niche category of materials that bridge the gap between metallic conductors and insulating oxides. Given its structural data richness, it serves as a subject of interest for computational studies exploring ternary phase spaces.

Due to its thermodynamic position above the hull, this compound is considered likely unstable under standard conditions. Its existence in structural databases highlights the ongoing effort to map metastable phases that could potentially be stabilized through specific synthesis pathways or thin-film growth techniques.

At a glance

Key Properties

Cross-validated computational properties for Ga2Li1Sc1, aggregated across 2 databases.

Band Gap

0.12 eV
Range across DFT structures

Energy Above Hull

2.065 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 14 space groups
Uses

Applications

Where Ga2Li1Sc1 is used.

Solid-state materials researchComputational phase stability studiesExploratory semiconductor development
Reference

Frequently Asked Questions

Common questions about Ga2Li1Sc1, answered from cross-validated data.

What is Ga2Li1Sc1?

Ga2Li1Sc1 is a semiconducting ternary compound of gallium, lithium, and scandium that exists as a metastable phase.

More questions
What is Ga2Li1Sc1 used for?
Ga2Li1Sc1 is used in solid-state materials research, computational phase stability studies, and exploratory semiconductor development.
What is the band gap of Ga2Li1Sc1?
Ga2Li1Sc1 has a DFT-computed band gap of 0.12 eV across 26 reported structures.
Is Ga2Li1Sc1 a metal, semiconductor, or insulator?
With a band gap up to 0.12 eV it is a semiconductor.
Is Ga2Li1Sc1 thermodynamically stable?
Ga2Li1Sc1 has a lowest energy above hull of 2.065 eV/atom (above hull).
How many polymorphs of Ga2Li1Sc1 are known?
26 structures of Ga2Li1Sc1 are reported across 2 databases, spanning 14 distinct space groups.
What elements does Ga2Li1Sc1 contain?
Ga2Li1Sc1 contains Ga, Li, and Sc (3 elements).
Where does the data for Ga2Li1Sc1 come from?
Ga2Li1Sc1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Ga2Li1Sc1 represents a specialized structural arrangement within the broader landscape of gallium-based intermetallics. Unlike more conventional, thermodynamically stable phases, this compound highlights the prevalence of metastable configurations in complex multi-element systems, serving as a benchmark for understanding the formation of non-equilibrium phases in materials science.

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

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