K4ZnO3
K4ZnO3 is a thermodynamically stable, semiconducting oxide material utilized in the study of transparent conducting oxides.
About K4ZnO3
K4ZnO3 is a distinct member of the transparent conducting oxide family, characterized by its semiconducting electronic nature. As a thermodynamically stable compound residing on the convex hull, it represents a structurally robust candidate for materials science research.
Its unique composition of potassium, zinc, and oxygen positions it as an intriguing subject for electronic and optical studies. Researchers look to such stable oxides to better understand the relationship between crystal structure and charge transport in complex oxide systems.
Key Properties
Cross-validated computational properties for K4ZnO3, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of K4ZnO3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for K4ZnO3, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 2.02 | 0.0000 | -1.453 | — |
| — | — | 2.02 | 0.0000 | -1.398 | — |
| P-1 (No. 2) | triclinic | 1.69 | 0.0000 | -4.066 | 2.92 |
| P-1 (No. 2) | triclinic | — | — | — | 2.87 |
| P-1 (No. 2) | triclinic | — | — | — | 2.76 |
| P-1 (No. 2) | triclinic | — | — | — | 2.86 |
Applications
Where K4ZnO3 is used.
Frequently Asked Questions
Common questions about K4ZnO3, answered from cross-validated data.
What is K4ZnO3?
K4ZnO3 is a thermodynamically stable, semiconducting oxide material utilized in the study of transparent conducting oxides.
What is K4ZnO3 used for?
What is the band gap of K4ZnO3?
Is K4ZnO3 a metal, semiconductor, or insulator?
Is K4ZnO3 thermodynamically stable?
What is the crystal structure of K4ZnO3?
How many polymorphs of K4ZnO3 are known?
What elements does K4ZnO3 contain?
Where does the data for K4ZnO3 come from?
How It Compares
Within the transparent conducting oxides class.
Unlike the widely utilized ZnO, which is a foundational binary transparent conductor, K4ZnO3 offers a more complex structural environment. While siblings like ZnGa2O4 and BaSnO3 are frequently investigated for their specific optoelectronic properties, K4ZnO3 stands out for its specific thermodynamic stability and distinct stoichiometry within the broader class of zinc-based oxides.
Related Compounds
Other Transparent Conducting Oxides in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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