Cl4Fe1Li1
LiFeCl4 is a stable, semiconducting ternary chloride compound composed of lithium, iron, and chlorine.
About Cl4Fe1Li1
LiFeCl4 is a ternary chloride compound that exists as a thermodynamically stable phase on the convex hull. Its semiconducting electronic character makes it an intriguing subject for research into transition metal-based halide materials. The compound represents a specific chemical arrangement of lithium, iron, and chlorine. Its stability suggests potential for integration into specialized chemical synthesis or electrochemical studies where stable halide frameworks are required.
Key Properties
Cross-validated computational properties for Cl4Fe1Li1, aggregated across 2 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 Cl4Fe1Li1, answered from cross-validated data.
What is Cl4Fe1Li1?
LiFeCl4 is a stable, semiconducting ternary chloride compound composed of lithium, iron, and chlorine.
What is the band gap of Cl4Fe1Li1?
Is Cl4Fe1Li1 a metal, semiconductor, or insulator?
Is Cl4Fe1Li1 thermodynamically stable?
How many polymorphs of Cl4Fe1Li1 are known?
What elements does Cl4Fe1Li1 contain?
Where does the data for Cl4Fe1Li1 come from?
How It Compares
As a member of the ternary chloride family, LiFeCl4 occupies a unique position due to its inherent thermodynamic stability. While many complex halides are prone to decomposition, this compound maintains a robust structure, serving as a foundational example of how lithium and iron can coexist within a chlorine-based lattice.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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