Li2Ag3F6
Li2Ag3F6 is a metastable, semiconducting ternary fluoride compound used primarily in advanced materials research.
About Li2Ag3F6
Li2Ag3F6 is a complex fluoride material that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique structural arrangement of lithium, silver, and fluorine atoms that requires specific synthesis conditions to stabilize.
Its significance lies in its role as a subject of fundamental materials research, where its structural diversity across multiple reported configurations provides insight into the behavior of silver-based fluorides. It is primarily studied for its potential utility in specialized electrochemical or solid-state electronic applications.
Key Properties
Cross-validated computational properties for Li2Ag3F6, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Li2Ag3F6, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.20 | 0.0681 | -9.821 | 5.24 |
| P-1 (No. 2) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.24 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.54 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.59 |
Applications
Where Li2Ag3F6 is used.
Frequently Asked Questions
Common questions about Li2Ag3F6, answered from cross-validated data.
What is Li2Ag3F6?
Li2Ag3F6 is a metastable, semiconducting ternary fluoride compound used primarily in advanced materials research.
What is Li2Ag3F6 used for?
What is the band gap of Li2Ag3F6?
Is Li2Ag3F6 a metal, semiconductor, or insulator?
Is Li2Ag3F6 thermodynamically stable?
What is the crystal structure of Li2Ag3F6?
What is the density of Li2Ag3F6?
How many polymorphs of Li2Ag3F6 are known?
What elements does Li2Ag3F6 contain?
Where does the data for Li2Ag3F6 come from?
How It Compares
As a distinct member of the silver-lithium fluoride family, Li2Ag3F6 occupies a unique niche in solid-state chemistry. It serves as a critical reference point for understanding the phase stability and electronic properties of complex ternary fluorides, helping researchers map the broader landscape of metastable inorganic materials.
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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