K3AuO
K3AuO is a stable, semiconducting ternary oxide composed of potassium, gold, and oxygen.
About K3AuO
K3AuO is a distinct ternary oxide composed of potassium, gold, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within its chemical system.
Exhibiting semiconducting electronic behavior, this compound is a subject of interest for researchers investigating the interplay between noble metals and alkali oxides. Its existence across multiple reported structures highlights its significance in fundamental materials science research.
Key Properties
Cross-validated computational properties for K3AuO, 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 K3AuO. 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 K3AuO, 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. |
|---|---|---|---|---|---|
| — | — | 0.66 | 0.0000 | -0.847 | — |
| Pm-3m (No. 221) | cubic | 0.56 | 0.0000 | -3.203 | 3.85 |
| Pm-3m (No. 221) | cubic | 0.52 | 0.0000 | -0.923 | — |
| Pm-3m (No. 221) | cubic | — | — | — | 3.81 |
| Pm-3m (No. 221) | cubic | — | — | — | 3.80 |
| Pm-3m (No. 221) | cubic | — | — | — | 3.74 |
| Pm-3m (No. 221) | cubic | — | — | — | 3.64 |
Frequently Asked Questions
Common questions about K3AuO, answered from cross-validated data.
What is K3AuO?
K3AuO is a stable, semiconducting ternary oxide composed of potassium, gold, and oxygen.
What is the band gap of K3AuO?
Is K3AuO a metal, semiconductor, or insulator?
Is K3AuO thermodynamically stable?
What is the crystal structure of K3AuO?
What is the density of K3AuO?
How many polymorphs of K3AuO are known?
What elements does K3AuO contain?
Where does the data for K3AuO come from?
How It Compares
As a unique ternary oxide, K3AuO represents a specialized structural configuration within the broader landscape of alkali-gold-oxygen systems, serving as a stable benchmark for understanding the electronic properties of these complex inorganic compounds.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze K3AuO in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →