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 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.
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.
Only 1 independent DFT source (materials_project) reports a hull energy for As4BrKO6, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for As4BrKO6, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P6/mmm (No. 191) | hexagonal | 2.74 | 0.0286 | -5.924 | 3.74 |
| P622 (No. 177) | hexagonal | — | — | — | 3.99 |
| P6/mmm (No. 191) | hexagonal | — | — | — | 3.98 |
| P6/mmm (No. 191) | hexagonal | — | — | — | — |
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?
What is the crystal structure of As4BrKO6?
What is the density of As4BrKO6?
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
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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