CuI2
CuI2 is a metastable metallic compound consisting of copper and iodine that is primarily studied for its complex structural properties.
About CuI2
CuI2 is a metastable inorganic compound composed of copper and iodine. Its electronic character is defined as metallic, distinguishing it from more common insulating or semiconducting copper halides. Due to its metastable nature, it represents a complex phase that challenges traditional synthesis methods and offers a unique subject for structural analysis.
This compound is of significant interest in fundamental materials science, particularly for researchers investigating non-equilibrium phases. With numerous reported structures across multiple databases, it serves as a critical case study for understanding the stability limits of copper-based binary systems.
Key Properties
Cross-validated computational properties for CuI2, aggregated across 5 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CuI2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Applications
Where CuI2 is used.
Frequently Asked Questions
Common questions about CuI2, answered from cross-validated data.
What is CuI2?
CuI2 is a metastable metallic compound consisting of copper and iodine that is primarily studied for its complex structural properties.
What is CuI2 used for?
What is the band gap of CuI2?
Is CuI2 a metal, semiconductor, or insulator?
Is CuI2 thermodynamically stable?
How many polymorphs of CuI2 are known?
What elements does CuI2 contain?
Where does the data for CuI2 come from?
How It Compares
As a metastable metallic phase, CuI2 stands out for its structural diversity and unconventional electronic behavior compared to more stable, insulating binary halides typically found in this chemical class.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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