NaAg3O2
NaAg3O2 is a thermodynamically stable, semiconducting ternary oxide containing sodium and silver.
About NaAg3O2
NaAg3O2 is a thermodynamically stable inorganic compound composed of sodium, silver, and oxygen. As a material residing on the convex hull, it exhibits inherent structural robustness that makes it a subject of interest for researchers investigating complex ternary oxides.
Characterized as a semiconductor, this compound offers unique electronic properties that distinguish it from simple binary oxides. Its existence across multiple reported structures highlights its versatility and the ongoing interest in its potential utility within specialized electronic or catalytic applications.
Key Properties
Cross-validated computational properties for NaAg3O2, 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 NaAg3O2. 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 NaAg3O2, 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. |
|---|---|---|---|---|---|
| — | — | 0.81 | 0.0000 | -0.645 | — |
| Ibam (No. 72) | orthorhombic | 0.79 | 0.0000 | -0.597 | — |
| Ibam (No. 72) | orthorhombic | 0.67 | 0.0000 | -4.000 | 6.63 |
| — | — | 0.00 | 0.1702 | -0.475 | — |
| Ibam (No. 72) | orthorhombic | — | — | — | 6.55 |
| Ibam (No. 72) | orthorhombic | — | — | — | 6.58 |
| Ibam (No. 72) | orthorhombic | — | — | — | 6.26 |
| Ibam (No. 72) | orthorhombic | — | — | — | 6.65 |
Applications
Where NaAg3O2 is used.
Frequently Asked Questions
Common questions about NaAg3O2, answered from cross-validated data.
What is NaAg3O2?
NaAg3O2 is a thermodynamically stable, semiconducting ternary oxide containing sodium and silver.
What is NaAg3O2 used for?
What is the band gap of NaAg3O2?
Is NaAg3O2 a metal, semiconductor, or insulator?
Is NaAg3O2 thermodynamically stable?
What is the crystal structure of NaAg3O2?
How many polymorphs of NaAg3O2 are known?
What elements does NaAg3O2 contain?
Where does the data for NaAg3O2 come from?
How It Compares
As a distinct ternary oxide, NaAg3O2 represents a specialized case within the broader landscape of silver-based oxygen compounds. While it lacks direct structural siblings in this context, its position as a stable semiconductor allows it to serve as a benchmark for exploring the electronic tuning of metal-rich oxides.
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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