NaV2O5
sodium vanadium bronze · alpha-NaV2O5
NaV2O5 is a semiconducting sodium vanadium oxide that is highly regarded for its structural complexity and potential for advanced electronic applications.
About sodium vanadium bronze
NaV2O5 is a semiconducting vanadium-based oxide that occupies a significant position in solid-state chemistry due to its complex structural landscape. As a near-hull phase, it is considered thermodynamically accessible, making it a viable candidate for experimental synthesis and characterization within the broader family of vanadium bronzes.
The compound is frequently studied for its electronic behavior, which is influenced by the valence states of the vanadium ions within the crystal lattice. Its structural versatility is evidenced by the numerous reported configurations, positioning it as a key material for researchers investigating low-dimensional magnetism and charge-ordering phenomena.
Key Properties
Cross-validated computational properties for sodium vanadium bronze, 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 NaV2O5. 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 NaV2O5, 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. |
|---|---|---|---|---|---|
| Pmmn (No. 59) | orthorhombic | 0.08 | 0.0000 | -2.497 | — |
| Pmmn (No. 59) | orthorhombic | 0.01 | 0.0000 | -2.513 | — |
| Pnma (No. 62) | orthorhombic | 0.93 | 0.0219 | -7.940 | 3.26 |
| C2/c (No. 15) | monoclinic | 1.56 | 0.0240 | -7.938 | 3.24 |
| Pmn21 (No. 31) | orthorhombic | 1.34 | 0.0281 | -7.934 | 3.19 |
| Fmm2 (No. 42) | orthorhombic | 0.41 | 0.0327 | -7.929 | 3.22 |
| Pmmn (No. 59) | orthorhombic | 0.54 | 0.0419 | -7.920 | 3.52 |
| Cmcm (No. 63) | orthorhombic | 0.42 | 0.0658 | -7.896 | 2.88 |
| — | — | 0.93 | 0.0862 | -2.399 | — |
| — | — | 1.29 | 0.0927 | -2.393 | — |
| Pmn21 (No. 31) | orthorhombic | 1.19 | 0.0945 | -7.867 | 3.08 |
| Pmmn (No. 59) | orthorhombic | 0.67 | 0.0947 | -7.867 | 2.48 |
Applications
Where sodium vanadium bronze is used.
Patent Landscape
1 patent reference NaV2O5 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 10954136 | Preparation method and application of tetragonal NaV2O5⋅H2O nanosheet-like powder | — | — |
Frequently Asked Questions
Common questions about sodium vanadium bronze, answered from cross-validated data.
What is NaV2O5?
NaV2O5 is a semiconducting sodium vanadium oxide that is highly regarded for its structural complexity and potential for advanced electronic applications.
What is NaV2O5 used for?
What is the band gap of NaV2O5?
Is NaV2O5 a metal, semiconductor, or insulator?
Is NaV2O5 thermodynamically stable?
What is the crystal structure of NaV2O5?
How many polymorphs of NaV2O5 are known?
What elements does NaV2O5 contain?
Where does the data for NaV2O5 come from?
How It Compares
As a distinct member of the vanadium oxide family, NaV2O5 serves as a primary reference point for understanding how alkali metal incorporation modifies the electronic landscape of vanadium-oxygen frameworks. It represents a critical case study for exploring the transition between localized and itinerant electronic states in complex oxides.
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)
- 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)
- 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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