Li2Fe2S3
Li2Fe2S3 is a semimetallic lithium iron sulfide compound that exists in a metastable state.
About Li2Fe2S3
Li2Fe2S3 is a complex sulfide featuring lithium and iron, characterized by a near-zero-gap electronic structure that places it in the semimetallic regime. Its composition reflects the intricate interplay between alkali metal cations and transition metal sulfide frameworks, which are of significant interest in solid-state chemistry.
Due to its position above the thermodynamic hull, this material is considered metastable, suggesting that its synthesis and preservation require specific experimental conditions. Despite this, the compound has been documented across multiple structural configurations, highlighting its role as a subject of ongoing investigation in materials science.
Key Properties
Cross-validated computational properties for Li2Fe2S3, 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.
Frequently Asked Questions
Common questions about Li2Fe2S3, answered from cross-validated data.
What is Li2Fe2S3?
Li2Fe2S3 is a semimetallic lithium iron sulfide compound that exists in a metastable state.
What is the band gap of Li2Fe2S3?
Is Li2Fe2S3 a metal, semiconductor, or insulator?
Is Li2Fe2S3 thermodynamically stable?
How many polymorphs of Li2Fe2S3 are known?
What elements does Li2Fe2S3 contain?
Where does the data for Li2Fe2S3 come from?
How It Compares
As a unique lithium iron sulfide, Li2Fe2S3 serves as a distinct entry within the broader landscape of ternary sulfides, representing a specific structural arrangement that deviates from more common, highly stable sulfide phases.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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