Li5AgF8

Li5AgF8 is a metastable semiconducting compound composed of lithium, silver, and fluorine.

AgFLi
Crystal structure of Li5AgF8 (trigonal, R-3m (No. 166))
Ground-state structure · Materials Project
Overview

About Li5AgF8

Li5AgF8 is a complex fluoride compound characterized by its semiconducting electronic nature. As a metastable material, it represents a unique structural arrangement within the lithium-silver-fluorine system, offering insights into the stability of multi-component halide lattices.

Its significance lies in its structural diversity, with multiple reported configurations across crystallographic databases. This variety makes it an intriguing subject for researchers investigating the interplay between lithium ion mobility and silver-based electronic environments in solid-state systems.

At a glance

Key Properties

Cross-validated computational properties for Li5AgF8, aggregated across 3 databases.

Band Gap

0.43 eV
Range across DFT structures

Energy Above Hull

0.036 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Li5AgF8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R-3m (No. 166)trigonal0.430.0364-6.7553.14
R-3m (No. 166)
R-3m (No. 166)Trigonal3.31
R-3m (No. 166)Trigonal3.14
R-3m (No. 166)Trigonal3.33
Uses

Applications

Where Li5AgF8 is used.

Solid-state materials researchFundamental crystallographic studies
Reference

Frequently Asked Questions

Common questions about Li5AgF8, answered from cross-validated data.

What is Li5AgF8?

Li5AgF8 is a metastable semiconducting compound composed of lithium, silver, and fluorine.

More questions
What is Li5AgF8 used for?
Li5AgF8 is used in solid-state materials research and fundamental crystallographic studies.
What is the band gap of Li5AgF8?
Li5AgF8 has a DFT-computed band gap of 0.43 eV across 5 reported structures.
Is Li5AgF8 a metal, semiconductor, or insulator?
With a band gap up to 0.43 eV it is a semiconductor.
Is Li5AgF8 thermodynamically stable?
Li5AgF8 has a lowest energy above hull of 0.036 eV/atom (metastable).
What is the crystal structure of Li5AgF8?
The lowest-energy reported polymorph of Li5AgF8 is trigonal symmetry, space group R-3m (No. 166).
What is the density of Li5AgF8?
The computed density of the ground-state structure of Li5AgF8 is 3.14 g/cm³.
How many polymorphs of Li5AgF8 are known?
5 structures of Li5AgF8 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li5AgF8 contain?
Li5AgF8 contains Ag, F, and Li (3 elements).
Where does the data for Li5AgF8 come from?
Li5AgF8 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

As a specialized fluoride compound, Li5AgF8 occupies a niche position in materials science. Without direct structural siblings in its immediate class, it serves as a distinct example of how silver and lithium can coexist within a fluorine-rich lattice to produce semiconducting properties.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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