Na3VP2O9
Na3VP2O9 is a semiconducting vanadium phosphate material investigated for use as a cathode in sodium-ion battery technology.
About Na3VP2O9
Na3VP2O9 is a semiconducting vanadium phosphate compound that functions as a cathode material. Its structural framework is designed to facilitate ion mobility, making it a subject of interest for advanced electrochemical energy storage systems. As a metastable phase, it represents a unique configuration within the broader family of vanadium-based polyanionic materials. The material is primarily studied for its potential in high-performance battery architectures where structural stability and electronic conductivity are critical for efficient charge and discharge cycles. Its role in the development of next-generation sodium-ion batteries highlights the ongoing search for sustainable and high-capacity electrode materials.
Key Properties
Cross-validated computational properties for Na3VP2O9, 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.
Reported Structures
Lowest-energy structures reported for Na3VP2O9, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 1.13 | 0.0330 | -7.093 | 2.63 |
| P21/m (No. 11) | monoclinic | 0.43 | 0.0364 | -7.089 | 2.86 |
| No. 0 | unknown | — | — | — | 0.83 |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.86 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.07 |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.93 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.63 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.81 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.69 |
Applications
Where Na3VP2O9 is used.
Frequently Asked Questions
Common questions about Na3VP2O9, answered from cross-validated data.
What is Na3VP2O9?
Na3VP2O9 is a semiconducting vanadium phosphate material investigated for use as a cathode in sodium-ion battery technology.
What is Na3VP2O9 used for?
What is the band gap of Na3VP2O9?
Is Na3VP2O9 a metal, semiconductor, or insulator?
Is Na3VP2O9 thermodynamically stable?
What is the crystal structure of Na3VP2O9?
What is the density of Na3VP2O9?
How many polymorphs of Na3VP2O9 are known?
What elements does Na3VP2O9 contain?
Where does the data for Na3VP2O9 come from?
How It Compares
Within the vanadium phosphate cathodes class.
Within the diverse class of vanadium phosphate cathodes, Na3VP2O9 occupies a distinct position compared to lithium-based counterparts like LiVPO4. While LiVPO4 and related lithium-vanadium phosphates are extensively characterized for their electrochemical performance, Na3VP2O9 offers a pathway for sodium-ion technology, providing an alternative to the lithium-centric design space that defines most of its class members.
Related Compounds
Other Vanadium Phosphate Cathodes in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
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