Rb3AuO
Rb3AuO is a thermodynamically stable semiconducting oxide compound composed of rubidium, gold, and oxygen.
About Rb3AuO
Rb3AuO is a complex oxide featuring a combination of rubidium, gold, and oxygen. As a thermodynamically stable compound residing on the convex hull, it represents a well-defined phase within the quaternary chemical space of these elements. Its structural integrity is supported by multiple reported configurations across various databases, highlighting its significance in solid-state chemistry.
Exhibiting semiconducting electronic characteristics, this material serves as an intriguing subject for researchers investigating the interplay between heavy alkali metals and noble metals in oxide lattices. Its stable nature makes it a reliable candidate for fundamental studies into the electronic band structures of gold-bearing ternary oxides.
Key Properties
Cross-validated computational properties for Rb3AuO, 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 Rb3AuO. 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 Rb3AuO, 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. |
|---|---|---|---|---|---|
| — | — | 1.06 | 0.0000 | -0.783 | — |
| Pm-3m (No. 221) | cubic | 0.20 | 0.0000 | -3.049 | 4.66 |
| — | — | 0.24 | 0.0118 | -0.771 | — |
| Pm-3m (No. 221) | cubic | 0.18 | 0.0195 | -0.851 | — |
| Pm-3m (No. 221) | cubic | — | — | — | 4.40 |
| Pm-3m (No. 221) | cubic | — | — | — | 4.67 |
| Pm-3m (No. 221) | cubic | — | — | — | 4.53 |
| Pm-3m (No. 221) | cubic | — | — | — | 4.68 |
Applications
Where Rb3AuO is used.
Frequently Asked Questions
Common questions about Rb3AuO, answered from cross-validated data.
What is Rb3AuO?
Rb3AuO is a thermodynamically stable semiconducting oxide compound composed of rubidium, gold, and oxygen.
What is Rb3AuO used for?
What is the band gap of Rb3AuO?
Is Rb3AuO a metal, semiconductor, or insulator?
Is Rb3AuO thermodynamically stable?
What is the crystal structure of Rb3AuO?
What is the density of Rb3AuO?
How many polymorphs of Rb3AuO are known?
What elements does Rb3AuO contain?
Where does the data for Rb3AuO come from?
How It Compares
As an unclassified ternary oxide, Rb3AuO occupies a distinct niche in materials science, serving as a primary example of how gold can be integrated into stable, semiconducting alkali-metal oxide frameworks. Without direct structural siblings in this specific class, it stands as a unique reference point for understanding the synthesis and stability of similar gold-rich oxide phases.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
Analyze Rb3AuO in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →