RbAgO
RbAgO is a thermodynamically stable, semiconducting ternary oxide known for its structural complexity and potential utility in materials science research.
About RbAgO
RbAgO is a distinct ternary oxide that occupies a stable position on the thermodynamic convex hull. As a semiconducting material, it represents an intriguing intersection of alkali metal chemistry and transition metal oxides, offering unique electronic pathways that are of significant interest for fundamental solid-state studies.
The compound is characterized by a notable structural diversity, with multiple reported configurations across various databases. This structural richness suggests that RbAgO possesses a complex coordination environment, making it a valuable subject for researchers investigating the interplay between silver-oxygen bonding and rubidium-based lattice stabilization.
Key Properties
Cross-validated computational properties for RbAgO, 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 RbAgO. 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 RbAgO, 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. |
|---|---|---|---|---|---|
| — | — | 1.57 | 0.0000 | -0.917 | — |
| I4/mmm (No. 139) | tetragonal | 1.47 | 0.0000 | -0.931 | — |
| I4/mmm (No. 139) | tetragonal | 1.47 | 0.0000 | -0.931 | — |
| I4/mmm (No. 139) | tetragonal | 1.43 | 0.0000 | -3.924 | 4.75 |
| — | — | 1.70 | 0.0019 | -0.915 | — |
| I4/mmm (No. 139) | tetragonal | 1.58 | 0.0161 | -0.915 | — |
| — | — | 0.24 | 0.2372 | -0.679 | — |
| — | — | 0.25 | 0.3292 | -0.587 | — |
| F-43m (No. 216) | cubic | 0.00 | 0.5375 | -0.394 | — |
| F-43m (No. 216) | cubic | 0.00 | 0.5438 | -3.380 | 5.35 |
| I-4m2 (No. 119) | tetragonal | — | — | — | 4.72 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 4.72 |
Applications
Where RbAgO is used.
Frequently Asked Questions
Common questions about RbAgO, answered from cross-validated data.
What is RbAgO?
RbAgO is a thermodynamically stable, semiconducting ternary oxide known for its structural complexity and potential utility in materials science research.
What is RbAgO used for?
What is the band gap of RbAgO?
Is RbAgO a metal, semiconductor, or insulator?
Is RbAgO thermodynamically stable?
What is the crystal structure of RbAgO?
What is the density of RbAgO?
How many polymorphs of RbAgO are known?
What elements does RbAgO contain?
Where does the data for RbAgO come from?
How It Compares
As a unique ternary oxide, RbAgO serves as a specialized example of silver-containing semiconducting materials. While it lacks direct structural siblings in this context, it functions as a critical reference point for understanding how alkali metal incorporation influences the electronic and thermodynamic stability of silver-based oxide systems.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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.
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