K2Sb2Zn2
K2Sb2Zn2 is a thermodynamically stable semiconducting ternary compound consisting of potassium, antimony, and zinc.
About K2Sb2Zn2
K2Sb2Zn2 is a ternary compound composed of potassium, antimony, and zinc. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that is well-represented across materials databases. Its electronic character identifies it as a semiconductor, making it a subject of interest for fundamental solid-state physics research.
This material is notable for its structural diversity, with multiple reported configurations documented in scientific databases. Its stability and semiconducting nature suggest it may provide a useful platform for investigating complex bonding environments in alkali-metal-based pnictides.
Key Properties
Cross-validated computational properties for K2Sb2Zn2, aggregated across 4 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 K2Sb2Zn2, 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 | 0.44 | 0.0000 | -14.056 | 4.01 |
| P-6m2 (No. 187) | hexagonal | 0.34 | 0.0122 | -14.044 | 3.97 |
| — | — | — | — | — | 3.76 |
| — | — | — | — | — | 3.76 |
| No. 0 | unknown | — | — | — | 2.00 |
| — | — | — | — | — | 4.37 |
| — | — | — | — | — | 3.76 |
| P63/mmc (No. 194) | — | — | — | — | — |
Applications
Where K2Sb2Zn2 is used.
Frequently Asked Questions
Common questions about K2Sb2Zn2, answered from cross-validated data.
What is K2Sb2Zn2?
K2Sb2Zn2 is a thermodynamically stable semiconducting ternary compound consisting of potassium, antimony, and zinc.
What is K2Sb2Zn2 used for?
What is the band gap of K2Sb2Zn2?
Is K2Sb2Zn2 a metal, semiconductor, or insulator?
Is K2Sb2Zn2 thermodynamically stable?
What is the crystal structure of K2Sb2Zn2?
What is the density of K2Sb2Zn2?
How many polymorphs of K2Sb2Zn2 are known?
What elements does K2Sb2Zn2 contain?
Where does the data for K2Sb2Zn2 come from?
How It Compares
As a unique ternary phase, K2Sb2Zn2 serves as an important reference point for studying the interaction between alkali metals and pnictogen-transition metal networks. While it exists as an individual entry, it contributes to the broader understanding of how ternary combinations of these elements can achieve thermodynamic stability.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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