Na3AgO2
Na3AgO2 is a stable, semiconducting ternary oxide containing sodium, silver, and oxygen.
About Na3AgO2
Na3AgO2 is a ternary oxide composed of sodium, silver, and oxygen. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within its chemical system, supported by multiple documented structural configurations across research databases. Its semiconducting nature makes it an intriguing subject for studies involving electronic materials and complex oxide chemistry. The material is primarily utilized in fundamental materials science research to better understand the interactions between alkali metals and transition metal oxides. Its stability suggests potential for specialized applications where precisely defined structural frameworks are required for electronic or chemical performance.
Key Properties
Cross-validated computational properties for Na3AgO2, 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 Na3AgO2. 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 Na3AgO2, 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. |
|---|---|---|---|---|---|
| Ibam (No. 72) | orthorhombic | 1.35 | 0.0000 | -1.212 | — |
| — | — | 1.30 | 0.0000 | -1.239 | — |
| Ibam (No. 72) | orthorhombic | 1.14 | 0.0000 | -4.052 | 4.03 |
| Ibam (No. 72) | orthorhombic | — | — | — | 3.92 |
| Ibam (No. 72) | orthorhombic | — | — | — | 3.94 |
| Ibam (No. 72) | orthorhombic | — | — | — | 3.98 |
| Ibam (No. 72) | orthorhombic | — | — | — | 4.00 |
| Ibam (No. 72) | orthorhombic | — | — | — | 3.79 |
Applications
Where Na3AgO2 is used.
Frequently Asked Questions
Common questions about Na3AgO2, answered from cross-validated data.
What is Na3AgO2?
Na3AgO2 is a stable, semiconducting ternary oxide containing sodium, silver, and oxygen.
What is Na3AgO2 used for?
What is the band gap of Na3AgO2?
Is Na3AgO2 a metal, semiconductor, or insulator?
Is Na3AgO2 thermodynamically stable?
What is the crystal structure of Na3AgO2?
How many polymorphs of Na3AgO2 are known?
What elements does Na3AgO2 contain?
Where does the data for Na3AgO2 come from?
How It Compares
As a distinct ternary oxide, Na3AgO2 occupies a unique position in materials science, serving as a benchmark for understanding the structural and electronic behavior of silver-based alkali oxides in the absence of more common structural analogs.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- 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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