As2K2Zn2
As2K2Zn2 is a thermodynamically stable, semiconducting ternary compound consisting of arsenic, potassium, and zinc.
About As2K2Zn2
As2K2Zn2 is a ternary compound composed of arsenic, potassium, and zinc. As a thermodynamically stable phase located on the convex hull, it represents a well-defined structural arrangement within its chemical system.
This material exhibits semiconducting electronic characteristics, making it an interesting candidate for research into specialized electronic or optoelectronic applications. Its existence across multiple structural databases highlights its significance as a stable, reproducible phase for further investigation.
Key Properties
Cross-validated computational properties for As2K2Zn2, 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 As2K2Zn2, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.27 | 0.0000 | -2.819 | 3.80 |
| P-6m2 (No. 187) | hexagonal | 0.20 | 0.0091 | -2.810 | 3.77 |
| — | — | — | — | — | 3.96 |
| P63/mmc (No. 194) | — | — | — | — | — |
Frequently Asked Questions
Common questions about As2K2Zn2, answered from cross-validated data.
What is As2K2Zn2?
As2K2Zn2 is a thermodynamically stable, semiconducting ternary compound consisting of arsenic, potassium, and zinc.
What is the band gap of As2K2Zn2?
Is As2K2Zn2 a metal, semiconductor, or insulator?
Is As2K2Zn2 thermodynamically stable?
What is the crystal structure of As2K2Zn2?
What is the density of As2K2Zn2?
How many polymorphs of As2K2Zn2 are known?
What elements does As2K2Zn2 contain?
Where does the data for As2K2Zn2 come from?
How It Compares
As a distinct ternary phase, As2K2Zn2 occupies a unique position in materials research. Without direct structural siblings in this specific chemical grouping, it serves as a primary reference point for understanding the interplay between alkali metals, transition metals, and pnictogens in stable semiconducting configurations.
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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