As4Ga2K4Na2
As4Ga2K4Na2 is a thermodynamically stable semiconducting compound composed of sodium, potassium, gallium, and arsenic.
About As4Ga2K4Na2
As4Ga2K4Na2 is a complex quaternary arsenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration within its chemical system. Its existence across multiple reported structures highlights its significance in fundamental solid-state research.
This compound is of interest to materials scientists investigating the interplay between alkali metals and pnictide frameworks. Its stable nature makes it a compelling subject for studies focused on electronic structure and potential applications in specialized semiconductor technologies.
Key Properties
Cross-validated computational properties for As4Ga2K4Na2, 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 As4Ga2K4Na2, 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. |
|---|---|---|---|---|---|
| Ibam (No. 72) | orthorhombic | 0.81 | 0.0000 | -3.149 | 3.12 |
| — | — | — | — | — | 2.64 |
| Ibam (No. 72) | — | — | — | — | — |
Frequently Asked Questions
Common questions about As4Ga2K4Na2, answered from cross-validated data.
What is As4Ga2K4Na2?
As4Ga2K4Na2 is a thermodynamically stable semiconducting compound composed of sodium, potassium, gallium, and arsenic.
What is the band gap of As4Ga2K4Na2?
Is As4Ga2K4Na2 a metal, semiconductor, or insulator?
Is As4Ga2K4Na2 thermodynamically stable?
What is the crystal structure of As4Ga2K4Na2?
What is the density of As4Ga2K4Na2?
How many polymorphs of As4Ga2K4Na2 are known?
What elements does As4Ga2K4Na2 contain?
Where does the data for As4Ga2K4Na2 come from?
How It Compares
As a unique quaternary compound, As4Ga2K4Na2 serves as a foundational example of complex alkali-gallium-arsenide chemistry. Unlike simpler binary or ternary semiconductors, this material demonstrates how the integration of multiple alkali species can stabilize specific structural motifs, providing a distinct reference point for future exploration of similar multinary pnictide systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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