VAgO3
VAgO3 is a stable, semiconducting ternary oxide of silver and vanadium.
About VAgO3
VAgO3 is a ternary oxide composed of silver, vanadium, and oxygen. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within its chemical system, making it a significant subject for structural and electronic investigation.
Exhibiting semiconducting behavior, this material is of interest for applications where tunable electronic properties are required. Its existence across multiple reported structures highlights its versatility and the potential for diverse coordination environments within the crystal lattice.
Key Properties
Cross-validated computational properties for VAgO3, 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 VAgO3. 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 VAgO3, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 1.63 | 0.0000 | -7.119 | 5.52 |
| — | — | 1.48 | 0.0000 | -1.707 | — |
| Cm (No. 8) | monoclinic | 1.33 | 0.0000 | -1.814 | — |
| — | — | 1.75 | 0.0087 | -1.698 | — |
| Cm (No. 8) | monoclinic | 1.28 | 0.0089 | -1.805 | — |
| C2/c (No. 15) | monoclinic | 1.92 | 0.0117 | -7.107 | 4.78 |
| C2/c (No. 15) | monoclinic | 1.92 | 0.0156 | -12.489 | 4.94 |
| — | — | 1.30 | 0.0362 | -1.671 | — |
| — | — | 1.34 | 0.0742 | -1.633 | — |
| P-1 (No. 2) | triclinic | 1.72 | 0.0875 | -7.031 | 4.51 |
| — | — | 1.80 | 0.1122 | -1.595 | — |
| — | — | 0.34 | 0.1248 | -1.582 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting VAgO3.
Applications
Where VAgO3 is used.
Frequently Asked Questions
Common questions about VAgO3, answered from cross-validated data.
What is VAgO3?
VAgO3 is a stable, semiconducting ternary oxide of silver and vanadium.
What is VAgO3 used for?
What is the band gap of VAgO3?
Is VAgO3 a metal, semiconductor, or insulator?
Is VAgO3 thermodynamically stable?
What is the crystal structure of VAgO3?
What is the density of VAgO3?
How many polymorphs of VAgO3 are known?
How is VAgO3 synthesized?
What elements does VAgO3 contain?
Where does the data for VAgO3 come from?
How It Compares
As a stable ternary oxide, VAgO3 serves as a foundational example of silver-vanadium chemistry. It stands as a reliable reference point for researchers exploring the complex phase space of metal-vanadium-oxygen systems, offering a stable baseline for comparing the electronic and structural characteristics of more transient or metastable phases within this chemical family.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- 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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