C2Na4O14P2V2
C2Na4O14P2V2 is a stable, semiconducting vanadium phosphate compound engineered for potential use in advanced battery cathode applications.
About C2Na4O14P2V2
C2Na4O14P2V2 is a complex vanadium phosphate compound that functions as a semiconducting material within the broader family of polyanionic cathode candidates. Its position on the convex hull indicates that it is a thermodynamically stable phase, making it a subject of interest for researchers investigating robust electrode materials for electrochemical energy storage. The structural arrangement of the vanadium, phosphorus, and oxygen framework, combined with sodium ions, allows for the potential reversible insertion and extraction of charge carriers. This makes the compound a relevant candidate for study in the development of next-generation battery architectures that prioritize long-term stability and structural integrity.
Key Properties
Cross-validated computational properties for C2Na4O14P2V2, 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 C2Na4O14P2V2, 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. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 2.15 | 0.0000 | -7.519 | 2.66 |
| P21 (No. 4) | monoclinic | 0.00 | 0.0067 | -7.513 | 2.69 |
| — | — | — | — | — | 2.30 |
| No. 0 | unknown | — | — | — | 1.25 |
Applications
Where C2Na4O14P2V2 is used.
Frequently Asked Questions
Common questions about C2Na4O14P2V2, answered from cross-validated data.
What is C2Na4O14P2V2?
C2Na4O14P2V2 is a stable, semiconducting vanadium phosphate compound engineered for potential use in advanced battery cathode applications.
What is C2Na4O14P2V2 used for?
What is the band gap of C2Na4O14P2V2?
Is C2Na4O14P2V2 a metal, semiconductor, or insulator?
Is C2Na4O14P2V2 thermodynamically stable?
What is the crystal structure of C2Na4O14P2V2?
What is the density of C2Na4O14P2V2?
How many polymorphs of C2Na4O14P2V2 are known?
What elements does C2Na4O14P2V2 contain?
Where does the data for C2Na4O14P2V2 come from?
How It Compares
Within the vanadium phosphate cathodes class.
Within the diverse class of vanadium phosphate cathodes, C2Na4O14P2V2 stands out as a sodium-based variant compared to the more commonly studied lithium-based counterparts like LiVPO4 and LiVP2O7. While many of its siblings are optimized for lithium-ion systems, this sodium-rich structure offers a distinct alternative for exploring sodium-ion battery chemistries, providing a different ionic radius and coordination environment that influences its electrochemical performance.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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