Na3VSO3
Na3VSO3 is a metastable, insulating polyanion sulfate compound primarily investigated for its potential role as a cathode material in sodium-ion batteries.
About Na3VSO3
Na3VSO3 is a metastable inorganic compound categorized within the polyanion sulfate cathode class. As a wide-band-gap insulator, it represents a specialized structural framework designed for ion transport and electrochemical activity in energy storage systems.
Its significance lies in the structural flexibility offered by the polyanion arrangement, which is a hallmark of this material class. Researchers study these compounds to understand how specific anionic configurations influence stability and performance in next-generation battery technologies.
Key Properties
Cross-validated computational properties for Na3VSO3, 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 Na3VSO3, 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. |
|---|---|---|---|---|---|
| R3c (No. 161) | trigonal | 3.15 | 0.0366 | -6.011 | 2.48 |
| R3c (No. 161) | Trigonal | — | — | — | 2.48 |
| R3c (No. 161) | Trigonal | — | — | — | 2.63 |
| R3c (No. 161) | Trigonal | — | — | — | 2.53 |
| R3c (No. 161) | — | — | — | — | — |
Applications
Where Na3VSO3 is used.
Frequently Asked Questions
Common questions about Na3VSO3, answered from cross-validated data.
What is Na3VSO3?
Na3VSO3 is a metastable, insulating polyanion sulfate compound primarily investigated for its potential role as a cathode material in sodium-ion batteries.
What is Na3VSO3 used for?
What is the band gap of Na3VSO3?
Is Na3VSO3 a metal, semiconductor, or insulator?
Is Na3VSO3 thermodynamically stable?
What is the crystal structure of Na3VSO3?
What is the density of Na3VSO3?
How many polymorphs of Na3VSO3 are known?
What elements does Na3VSO3 contain?
Where does the data for Na3VSO3 come from?
How It Compares
Within the polyanion sulfate cathodes class.
Within the diverse landscape of polyanion sulfate cathodes, Na3VSO3 occupies a unique niche compared to more complex siblings like Na6O2S6V2. While many members of this class are explored for their robust cycling capabilities, Na3VSO3 is distinguished by its specific stoichiometry and metastable nature, which sets it apart from the more established or structurally distinct phases found in the broader family of sodium and lithium-based sulfate materials.
Related Compounds
Other Polyanion Sulfate Cathodes in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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