NaAgO
NaAgO is a thermodynamically stable semiconducting oxide containing sodium, silver, and oxygen.
About NaAgO
NaAgO is a distinct ternary oxide composed of sodium, silver, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration within its chemical system, making it a subject of interest for structural studies and materials design.
Exhibiting semiconducting electronic characteristics, this compound bridges the gap between metallic oxides and insulating ceramics. Its presence across multiple structural databases highlights its significance as a well-documented material for researchers investigating complex metal-oxide interactions.
Key Properties
Cross-validated computational properties for NaAgO, 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 NaAgO. 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 NaAgO, 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. |
|---|---|---|---|---|---|
| — | — | 1.33 | 0.0000 | -0.997 | — |
| I4/mmm (No. 139) | tetragonal | 1.29 | 0.0000 | -0.956 | — |
| I4/mmm (No. 139) | tetragonal | 1.22 | 0.0000 | -4.081 | 4.80 |
| — | — | 1.45 | 0.0002 | -0.997 | — |
| I-4m2 (No. 119) | tetragonal | 1.26 | 0.0006 | -4.081 | 4.49 |
| I4/mmm (No. 139) | tetragonal | 1.39 | 0.0141 | -0.942 | — |
| Cmcm (No. 63) | orthorhombic | 1.17 | 0.1346 | -0.821 | — |
| F-43m (No. 216) | cubic | 0.00 | 0.2918 | -3.789 | 5.24 |
| F-43m (No. 216) | cubic | 0.00 | 0.2942 | -0.662 | — |
| Pmmm (No. 47) | orthorhombic | 0.00 | 0.3856 | -0.570 | — |
| — | — | 0.00 | 0.7051 | -0.292 | — |
| I-4m2 (No. 119) | tetragonal | — | — | — | 4.68 |
Applications
Where NaAgO is used.
Frequently Asked Questions
Common questions about NaAgO, answered from cross-validated data.
What is NaAgO?
NaAgO is a thermodynamically stable semiconducting oxide containing sodium, silver, and oxygen.
What is NaAgO used for?
What is the band gap of NaAgO?
Is NaAgO a metal, semiconductor, or insulator?
Is NaAgO thermodynamically stable?
What is the crystal structure of NaAgO?
What is the density of NaAgO?
How many polymorphs of NaAgO are known?
What elements does NaAgO contain?
Where does the data for NaAgO come from?
How It Compares
As a unique ternary oxide, NaAgO serves as a fundamental reference point for understanding the interplay between alkali metals and noble metal oxides, providing a stable baseline for exploring the broader landscape of silver-based semiconducting materials.
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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