LiAgF3

LiAgF3 is a metastable semiconducting ternary fluoride compound of interest for its structural complexity and electronic properties.

AgFLi
Crystal structure of LiAgF3
Ground-state structure · Materials Project
Overview

About LiAgF3

LiAgF3 is a complex ternary fluoride compound that exhibits semiconducting electronic behavior. As a metastable material, it represents a unique phase within the landscape of lithium-silver-fluoride chemistry, offering researchers a distinct structural profile for investigation. Its existence in multiple reported structures highlights the structural flexibility and potential for diverse coordination environments within this chemical system. The compound is of interest to materials scientists exploring non-equilibrium phases and the fundamental physics of semiconducting metal fluorides. By studying its metastable nature, researchers can gain insights into the stabilization mechanisms of complex fluorides that do not easily form under standard conditions.

At a glance

Key Properties

Cross-validated computational properties for LiAgF3, aggregated across 3 databases.

Band Gap

0.09–0.34 eV
Range across DFT structures

Energy Above Hull

0.049 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

32
3 databases, 6 space groups
Uses

Applications

Where LiAgF3 is used.

Fundamental materials science researchSolid-state chemistry studiesExploration of metastable phase synthesis
Reference

Frequently Asked Questions

Common questions about LiAgF3, answered from cross-validated data.

What is LiAgF3?

LiAgF3 is a metastable semiconducting ternary fluoride compound of interest for its structural complexity and electronic properties.

More questions
What is LiAgF3 used for?
LiAgF3 is used in fundamental materials science research, solid-state chemistry studies, and exploration of metastable phase synthesis.
What is the band gap of LiAgF3?
LiAgF3 has a DFT-computed band gap of 0.09–0.34 eV across 32 reported structures.
Is LiAgF3 a metal, semiconductor, or insulator?
With a band gap up to 0.34 eV it is a semiconductor.
Is LiAgF3 thermodynamically stable?
LiAgF3 has a lowest energy above hull of 0.049 eV/atom (metastable).
How many polymorphs of LiAgF3 are known?
32 structures of LiAgF3 are reported across 3 databases, spanning 6 distinct space groups.
What elements does LiAgF3 contain?
LiAgF3 contains Ag, F, and Li (3 elements).
Where does the data for LiAgF3 come from?
LiAgF3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary fluoride, LiAgF3 occupies a specialized niche in materials science. Without direct structural siblings, it serves as a critical reference point for understanding how silver and lithium cations interact within a fluoride lattice to produce semiconducting properties, distinguishing it from simpler binary halide systems.

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

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