NbAgO3
NbAgO3 is a metastable, semiconducting ternary oxide composed of silver, niobium, and oxygen that is primarily utilized in experimental materials research.
About NbAgO3
NbAgO3 is a complex ternary oxide containing silver, niobium, and oxygen. As a metastable phase, it represents a specialized configuration of these elements that offers unique structural and electronic characteristics for materials scientists investigating non-equilibrium systems. Its semiconducting nature makes it an intriguing candidate for electronic and optoelectronic research, where precise control over charge carrier behavior is essential. The compound is primarily studied in academic and laboratory settings to understand the stabilization of complex oxides under varying synthesis conditions. Its existence within a diverse landscape of reported structures highlights the versatility of niobium-based oxides in forming varied crystalline frameworks.
Key Properties
Cross-validated computational properties for NbAgO3, 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 NbAgO3. 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 NbAgO3, 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. |
|---|---|---|---|---|---|
| P4/mbm (No. 127) | tetragonal | 0.85 | 0.0077 | -1.945 | — |
| — | — | 2.31 | 0.0217 | -2.039 | — |
| — | — | 1.70 | 0.0409 | -2.019 | — |
| — | — | 0.00 | 0.0414 | -2.019 | — |
| Pm-3m (No. 221) | cubic | 1.43 | 0.0440 | -1.909 | — |
| — | — | 1.27 | 0.0512 | -2.009 | — |
| — | — | 1.10 | 0.0529 | -2.007 | — |
| — | — | 1.12 | 0.0540 | -2.006 | — |
| Pbcm (No. 57) | orthorhombic | 1.79 | 0.0595 | -7.738 | 6.43 |
| — | — | 1.77 | 0.0602 | -2.000 | — |
| Pmc21 (No. 26) | orthorhombic | 1.74 | 0.0606 | -7.737 | 6.42 |
| — | — | 1.59 | 0.0647 | -1.996 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting NbAgO3.
Applications
Where NbAgO3 is used.
Frequently Asked Questions
Common questions about NbAgO3, answered from cross-validated data.
What is NbAgO3?
NbAgO3 is a metastable, semiconducting ternary oxide composed of silver, niobium, and oxygen that is primarily utilized in experimental materials research.
What is NbAgO3 used for?
What is the band gap of NbAgO3?
Is NbAgO3 a metal, semiconductor, or insulator?
Is NbAgO3 thermodynamically stable?
What is the crystal structure of NbAgO3?
What is the density of NbAgO3?
How many polymorphs of NbAgO3 are known?
How is NbAgO3 synthesized?
What elements does NbAgO3 contain?
Where does the data for NbAgO3 come from?
How It Compares
As a metastable semiconducting oxide, NbAgO3 occupies a distinct niche in materials science, serving as a subject of investigation for researchers looking to harness non-equilibrium states in inorganic chemistry. While many ternary oxides are synthesized for high thermodynamic stability, NbAgO3 is valued for its specific structural arrangement, providing a unique case study in how silver and niobium can be integrated into a functional lattice.
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)
Analyze NbAgO3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →