KAgO2
KAgO2 is a stable semiconducting ternary oxide containing potassium, silver, and oxygen.
About KAgO2
KAgO2 is a ternary oxide composed of potassium, silver, and oxygen. As a thermodynamically stable compound residing on the convex hull, it represents a robust structural arrangement within its chemical system. Its electronic character is defined as semiconducting, making it an interesting candidate for studies involving charge transport and electronic behavior in complex oxides. The material is well-documented, with numerous reported structures across major databases, reflecting significant interest in its crystallographic diversity. Researchers investigate this compound to better understand the interplay between alkali metals and transition metal oxides in solid-state chemistry. Its stability suggests potential for synthesis and integration into functional material frameworks where predictable electronic properties are required.
Key Properties
Cross-validated computational properties for KAgO2, aggregated across 2 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 KAgO2. 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 KAgO2, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.97 | 0.0000 | -4.489 | 3.98 |
| Pmmm (No. 47) | orthorhombic | 0.68 | 0.0000 | -0.852 | — |
| C2/c (No. 15) | monoclinic | 1.18 | 0.0163 | -4.472 | 3.78 |
| Cmcm (No. 63) | orthorhombic | 1.03 | 0.0189 | -0.833 | — |
| Pmmm (No. 47) | orthorhombic | 0.62 | 0.0261 | -4.462 | 4.41 |
| C2/c (No. 15) | monoclinic | 1.23 | 0.0385 | -0.814 | — |
| C2/c (No. 15) | monoclinic | — | — | — | 3.55 |
| C2/c (No. 15) | monoclinic | — | — | — | 3.79 |
| Pmmm (No. 47) | orthorhombic | — | — | — | 4.41 |
| C2/c (No. 15) | monoclinic | — | — | — | 3.68 |
| Pmmm (No. 47) | orthorhombic | — | — | — | 4.74 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 3.93 |
Frequently Asked Questions
Common questions about KAgO2, answered from cross-validated data.
What is KAgO2?
KAgO2 is a stable semiconducting ternary oxide containing potassium, silver, and oxygen.
What is the band gap of KAgO2?
Is KAgO2 a metal, semiconductor, or insulator?
Is KAgO2 thermodynamically stable?
What is the crystal structure of KAgO2?
What is the density of KAgO2?
How many polymorphs of KAgO2 are known?
What elements does KAgO2 contain?
Where does the data for KAgO2 come from?
How It Compares
As a distinct ternary oxide, KAgO2 occupies a unique position in the landscape of silver-based alkali oxides, serving as a foundational example of stable stoichiometry in this chemical family.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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