Al4As6K6
Al4As6K6 is a thermodynamically stable semiconducting compound containing aluminum, arsenic, and potassium.
About Al4As6K6
Al4As6K6 is a complex inorganic compound composed of aluminum, arsenic, and potassium. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within its compositional space, offering a well-defined structural framework for further scientific investigation.
This material exhibits semiconducting electronic character, making it an intriguing candidate for studies involving electronic transport and optoelectronic properties. Its existence across multiple reported structures highlights its significance as a stable building block in the exploration of ternary pnictide systems.
Key Properties
Cross-validated computational properties for Al4As6K6, 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 Al4As6K6, 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. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 1.19 | 0.0000 | -3.670 | 2.93 |
| P21/m (No. 11) | — | — | — | — | — |
| P21/m (No. 11) | — | — | — | — | — |
| — | — | — | — | — | 2.34 |
Applications
Where Al4As6K6 is used.
Frequently Asked Questions
Common questions about Al4As6K6, answered from cross-validated data.
What is Al4As6K6?
Al4As6K6 is a thermodynamically stable semiconducting compound containing aluminum, arsenic, and potassium.
What is Al4As6K6 used for?
What is the band gap of Al4As6K6?
Is Al4As6K6 a metal, semiconductor, or insulator?
Is Al4As6K6 thermodynamically stable?
What is the crystal structure of Al4As6K6?
What is the density of Al4As6K6?
How many polymorphs of Al4As6K6 are known?
What elements does Al4As6K6 contain?
Where does the data for Al4As6K6 come from?
How It Compares
As a unique ternary phase, Al4As6K6 serves as a foundational example of stable aluminum-arsenic-potassium chemistry, providing a baseline for understanding how these elements organize into semiconducting structures without the need for comparison to other specific analogues.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze Al4As6K6 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →