AlCl4Cu
AlCl4Cu is a thermodynamically stable semiconducting compound composed of aluminum, chlorine, and copper.
About AlCl4Cu
AlCl4Cu is a semiconducting inorganic compound that occupies a stable position on the thermodynamic convex hull. Its unique composition of aluminum, chlorine, and copper points to a complex electronic structure that is of significant interest for fundamental research into halide-based materials.
This material is characterized by its structural diversity, with multiple reported configurations across various databases. As a stable phase, it serves as a valuable subject for investigating the interplay between transition metals and main-group halides in solid-state systems.
Key Properties
Cross-validated computational properties for AlCl4Cu, aggregated across 4 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 AlCl4Cu. 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.
Frequently Asked Questions
Common questions about AlCl4Cu, answered from cross-validated data.
What is AlCl4Cu?
AlCl4Cu is a thermodynamically stable semiconducting compound composed of aluminum, chlorine, and copper.
What is the band gap of AlCl4Cu?
Is AlCl4Cu a metal, semiconductor, or insulator?
Is AlCl4Cu thermodynamically stable?
How many polymorphs of AlCl4Cu are known?
What elements does AlCl4Cu contain?
Where does the data for AlCl4Cu come from?
How It Compares
As a distinct semiconducting halide, AlCl4Cu represents a specialized phase within its chemical family. While it lacks direct structural siblings in this context, its stability and electronic nature position it as a noteworthy reference point for researchers studying the broader landscape of copper-aluminum-chlorine ternary systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze AlCl4Cu in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →