As4I1K1O6
As4I1K1O6 is a stable, semiconducting inorganic compound composed of arsenic, iodine, potassium, and oxygen.
About As4I1K1O6
As4I1K1O6 is a complex inorganic compound that exhibits semiconducting electronic behavior. Its position on the convex hull indicates that it is a thermodynamically stable phase, making it a significant subject for structural analysis and materials research.
This material is characterized by its unique elemental composition, which contributes to its distinct electronic profile. As a stable crystalline structure, it serves as a valuable entry for researchers investigating the interplay between arsenic, iodine, potassium, and oxygen in solid-state chemistry.
Key Properties
Cross-validated computational properties for As4I1K1O6, 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.
Reported Structures
Lowest-energy structures reported for As4I1K1O6, 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 | 2.34 | 0.0000 | -5.913 | 3.91 |
| P6/mmm (No. 191) | — | — | — | — | — |
| P6/mmm (No. 191) | hexagonal | — | — | — | 4.22 |
| P6/mmm (No. 191) | — | — | — | — | — |
Frequently Asked Questions
Common questions about As4I1K1O6, answered from cross-validated data.
What is As4I1K1O6?
As4I1K1O6 is a stable, semiconducting inorganic compound composed of arsenic, iodine, potassium, and oxygen.
What is the band gap of As4I1K1O6?
Is As4I1K1O6 a metal, semiconductor, or insulator?
Is As4I1K1O6 thermodynamically stable?
What is the crystal structure of As4I1K1O6?
What is the density of As4I1K1O6?
How many polymorphs of As4I1K1O6 are known?
What elements does As4I1K1O6 contain?
Where does the data for As4I1K1O6 come from?
How It Compares
As4I1K1O6 represents a distinct structural arrangement within its chemical family. As a thermodynamically stable semiconducting compound, it occupies a specific niche in the landscape of complex inorganic materials, providing a baseline for understanding how these specific elements interact to form stable, functional lattices.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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