As4BrKO6
As4BrKO6 is a stable, semiconducting inorganic compound composed of arsenic, bromine, potassium, and oxygen.
About As4BrKO6
As4BrKO6 is a complex inorganic compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of arsenic, bromine, potassium, and oxygen atoms.
This material is of significant interest for researchers investigating specialized semiconductor applications. Its stable configuration suggests potential utility in electronic devices where precise control over charge carrier behavior is required.
Key Properties
Cross-validated computational properties for As4BrKO6, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of As4BrKO6. 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 As4BrKO6 is used.
Frequently Asked Questions
Common questions about As4BrKO6, answered from cross-validated data.
What is As4BrKO6?
As4BrKO6 is a stable, semiconducting inorganic compound composed of arsenic, bromine, potassium, and oxygen.
What is As4BrKO6 used for?
What is the band gap of As4BrKO6?
Is As4BrKO6 a metal, semiconductor, or insulator?
Is As4BrKO6 thermodynamically stable?
How many polymorphs of As4BrKO6 are known?
What elements does As4BrKO6 contain?
Where does the data for As4BrKO6 come from?
How It Compares
As a unique inorganic compound, As4BrKO6 serves as a distinct entry in the landscape of complex arsenic-based materials. Without direct structural siblings, it occupies a specialized niche, offering a stable platform for exploring the interplay between its constituent elements in a semiconducting framework.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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