LiSiAg2

LiSiAg2 is a metastable semiconducting ternary compound consisting of lithium, silicon, and silver.

AgLiSi
Crystal structure of LiSiAg2
Ground-state structure · Materials Project
Overview

About LiSiAg2

LiSiAg2 is a complex ternary compound composed of lithium, silicon, and silver. As a semiconducting material, it exhibits electronic properties that distinguish it from simple metallic alloys, making it a subject of interest for fundamental solid-state research.

Despite its metastable nature, the compound has been identified across multiple structural databases, reflecting a diverse landscape of potential atomic arrangements. Its unique elemental composition positions it as a specialized candidate for exploring ternary phase stability and electronic behavior in multi-component systems.

At a glance

Key Properties

Cross-validated computational properties for LiSiAg2, aggregated across 3 databases.

Band Gap

0.66 eV
Range across DFT structures

Energy Above Hull

0.031 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

17
3 databases, 4 space groups
Reference

Frequently Asked Questions

Common questions about LiSiAg2, answered from cross-validated data.

What is LiSiAg2?

LiSiAg2 is a metastable semiconducting ternary compound consisting of lithium, silicon, and silver.

More questions
What is the band gap of LiSiAg2?
LiSiAg2 has a DFT-computed band gap of 0.66 eV across 17 reported structures.
Is LiSiAg2 a metal, semiconductor, or insulator?
With a band gap up to 0.66 eV it is a semiconductor.
Is LiSiAg2 thermodynamically stable?
LiSiAg2 has a lowest energy above hull of 0.031 eV/atom (metastable).
How many polymorphs of LiSiAg2 are known?
17 structures of LiSiAg2 are reported across 3 databases, spanning 4 distinct space groups.
What elements does LiSiAg2 contain?
LiSiAg2 contains Ag, Li, and Si (3 elements).
Where does the data for LiSiAg2 come from?
LiSiAg2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized ternary compound, LiSiAg2 represents a distinct niche in materials science where the interplay between alkali, metalloid, and transition metal elements creates complex structural landscapes. Unlike more common binary semiconductors, this material requires precise synthesis conditions to navigate its metastable state and achieve stable configurations.

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

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