VAg3O4
VAg3O4 is a stable semiconducting ternary oxide composed of silver, vanadium, and oxygen.
About VAg3O4
VAg3O4 is a complex silver vanadium oxide that exists as a thermodynamically stable phase on the convex hull. Its electronic character is defined as semiconducting, making it a subject of interest for researchers investigating the interplay between transition metal oxides and noble metal coordination.
With multiple reported structures across various databases, this compound demonstrates significant structural diversity. Its stability and electronic properties position it as a noteworthy material for fundamental studies in solid-state chemistry and materials design.
Key Properties
Cross-validated computational properties for VAg3O4, 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 VAg3O4. 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 VAg3O4, 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. |
|---|---|---|---|---|---|
| — | — | 1.02 | 0.0000 | -1.190 | — |
| C2/c (No. 15) | monoclinic | 0.90 | 0.0000 | -5.918 | 6.31 |
| C2/c (No. 15) | monoclinic | 0.90 | 0.0000 | -1.239 | — |
| C2/c (No. 15) | monoclinic | 0.90 | 0.0000 | -1.239 | — |
| — | — | 0.70 | 0.0300 | -1.160 | — |
| I-42m (No. 121) | tetragonal | 0.58 | 0.0307 | -5.887 | 6.05 |
| — | — | 0.99 | 0.0367 | -1.153 | — |
| — | — | 0.80 | 0.0428 | -1.147 | — |
| I-42m (No. 121) | tetragonal | 0.59 | 0.0531 | -1.186 | — |
| C2/c (No. 15) | monoclinic | — | — | — | 5.89 |
| I-42m (No. 121) | tetragonal | — | — | — | 6.17 |
| C2/c (No. 15) | monoclinic | — | — | — | 6.25 |
Synthesis Routes
Literature-extracted synthesis procedures targeting VAg3O4.
Applications
Where VAg3O4 is used.
Frequently Asked Questions
Common questions about VAg3O4, answered from cross-validated data.
What is VAg3O4?
VAg3O4 is a stable semiconducting ternary oxide composed of silver, vanadium, and oxygen.
What is VAg3O4 used for?
What is the band gap of VAg3O4?
Is VAg3O4 a metal, semiconductor, or insulator?
Is VAg3O4 thermodynamically stable?
What is the crystal structure of VAg3O4?
What is the density of VAg3O4?
How many polymorphs of VAg3O4 are known?
How is VAg3O4 synthesized?
What elements does VAg3O4 contain?
Where does the data for VAg3O4 come from?
How It Compares
As a distinct silver vanadium oxide, VAg3O4 occupies a unique position in the landscape of ternary metal oxides. While it does not share its specific structural class with other common compounds, its stability as a ground-state phase distinguishes it from metastable phases that often require specialized synthesis conditions.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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