KAuO2
Potassium aurate is an inorganic chemical compound containing potassium, gold, and oxygen. It is primarily utilized as a precursor in the synthesis of various gold-based materials and specialized chemical catalysts.
AuKO
Overview
Key Properties
Cross-validated computational properties for KAuO2, 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.
1.09–1.43 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
11
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for KAuO2, 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 | 1.43 | 0.0000 | -4.719 | 5.85 |
| Pmmm (No. 47) | orthorhombic | 1.09 | 0.0279 | -4.691 | 6.51 |
| P42/mmc (No. 131) | tetragonal | 0.00 | 0.0543 | -4.687 | 5.86 |
| Pmmm (No. 47) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| Pmmm (No. 47) | Orthorhombic | — | — | — | 6.51 |
| Pmmm (No. 47) | Orthorhombic | — | — | — | 7.00 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.77 |
| Pmmm (No. 47) | Orthorhombic | — | — | — | 6.72 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.40 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.55 |
Uses
Applications
Where KAuO2 is used.
Chemical synthesisCatalyst preparationMaterials science research
Reference
Frequently Asked Questions
Common questions about KAuO2, answered from cross-validated data.
What is KAuO2?
Potassium aurate is an inorganic chemical compound containing potassium, gold, and oxygen. It is primarily utilized as a precursor in the synthesis of various gold-based materials and specialized chemical catalysts.
More questions
What is KAuO2 used for?
KAuO2 is used in chemical synthesis, catalyst preparation, and materials science research.
What is the band gap of KAuO2?
KAuO2 has a DFT-computed band gap of 1.09–1.43 eV across 11 reported structures.
Is KAuO2 a metal, semiconductor, or insulator?
With a band gap up to 1.43 eV it is a semiconductor.
Is KAuO2 thermodynamically stable?
Yes — KAuO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of KAuO2?
The lowest-energy reported polymorph of KAuO2 is orthorhombic symmetry, space group Cmcm (No. 63).
What is the density of KAuO2?
The computed density of the ground-state structure of KAuO2 is 5.85 g/cm³.
How many polymorphs of KAuO2 are known?
11 structures of KAuO2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does KAuO2 contain?
KAuO2 contains Au, K, and O (3 elements).
Where does the data for KAuO2 come from?
KAuO2 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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