NaVPO5
NaVPO5 is a stable, semiconducting vanadium phosphate compound primarily researched for its potential as a cathode material in battery applications.
About NaVPO5
NaVPO5 is a vanadium phosphate compound that functions as a semiconducting material within the broader family of cathode candidates. Its position on the convex hull signifies high thermodynamic stability, making it a robust subject for structural investigation and electrochemical research.
As a member of the vanadium phosphate class, this material is of significant interest for its potential in battery technology. Its structural diversity, evidenced by numerous reported configurations, suggests a flexible framework capable of facilitating ion transport and maintaining integrity during charge-discharge cycling.
Key Properties
Cross-validated computational properties for NaVPO5, 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 NaVPO5, 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/c (No. 14) | monoclinic | 1.27 | 0.0000 | -7.703 | 3.54 |
| Pnma (No. 62) | orthorhombic | 1.66 | 0.0279 | -7.675 | 3.24 |
| Pna21 (No. 33) | orthorhombic | 2.52 | 0.0306 | -7.672 | 2.89 |
| P21/c (No. 14) | monoclinic | — | — | — | 0.86 |
| Pna21 (No. 33) | Orthorhombic | — | — | — | 3.13 |
| Pna21 (No. 33) | Orthorhombic | — | — | — | 2.89 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.35 |
| Pna21 (No. 33) | Orthorhombic | — | — | — | 2.95 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.45 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.64 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.24 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.34 |
Applications
Where NaVPO5 is used.
Frequently Asked Questions
Common questions about NaVPO5, answered from cross-validated data.
What is NaVPO5?
NaVPO5 is a stable, semiconducting vanadium phosphate compound primarily researched for its potential as a cathode material in battery applications.
What is NaVPO5 used for?
What is the band gap of NaVPO5?
Is NaVPO5 a metal, semiconductor, or insulator?
Is NaVPO5 thermodynamically stable?
What is the crystal structure of NaVPO5?
What is the density of NaVPO5?
How many polymorphs of NaVPO5 are known?
What elements does NaVPO5 contain?
Where does the data for NaVPO5 come from?
How It Compares
Within the vanadium phosphate cathodes class.
Within the diverse family of vanadium phosphates, NaVPO5 serves as a sodium-based alternative to lithium-containing counterparts like LiVPO5. While many members of this class, such as LiVP2O7 or Li12O58P16V6, are optimized for lithium-ion systems, NaVPO5 is essential for exploring sodium-ion battery architectures where larger ionic radii and different structural frameworks are required.
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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