Li2FeS2
Li2FeS2 is a semiconducting ternary sulfide compound known for its structural variety and inherent thermodynamic metastability.
About Li2FeS2
Li2FeS2 is a ternary sulfide compound composed of lithium, iron, and sulfur. As a semiconducting material, it represents an interesting subject for fundamental studies into transition metal chalcogenides and their electronic properties.
While this compound is noted for its structural diversity with numerous reported configurations, it is characterized as being thermodynamically unstable relative to its decomposition products. This metastability is a critical factor in understanding its synthesis pathways and potential behavior in solid-state systems.
Key Properties
Cross-validated computational properties for Li2FeS2, 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.
Applications
Where Li2FeS2 is used.
Frequently Asked Questions
Common questions about Li2FeS2, answered from cross-validated data.
What is Li2FeS2?
Li2FeS2 is a semiconducting ternary sulfide compound known for its structural variety and inherent thermodynamic metastability.
What is Li2FeS2 used for?
What is the band gap of Li2FeS2?
Is Li2FeS2 a metal, semiconductor, or insulator?
Is Li2FeS2 thermodynamically stable?
How many polymorphs of Li2FeS2 are known?
What elements does Li2FeS2 contain?
Where does the data for Li2FeS2 come from?
How It Compares
As a ternary sulfide, Li2FeS2 occupies a niche position in materials science where its electronic character and thermodynamic profile distinguish it from more stable, conventional battery electrode materials. Its structural complexity suggests it serves as a complex case study for phase stability within the lithium-iron-sulfur chemical space.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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