Vanadium Phosphate Cathodes
NASICON- and tavorite-structured vanadium phosphates such as Na3V2(PO4)3 and LiVPO4F, combining high operating voltage with exceptional rate capability for both lithium- and sodium-ion systems.
Class Statistics
What are Vanadium Phosphate Cathodes?
Vanadium phosphate cathodes represent a sophisticated class of polyanionic electrode materials that have garnered significant attention for their robust structural stability and high electrochemical performance in both lithium-ion and sodium-ion battery systems. These materials typically crystallize in NASICON or tavorite frameworks, which are characterized by three-dimensional open-channel structures that facilitate the rapid migration of alkali metal ions. The chemistry of these cathodes relies on the inductive effect of the phosphate polyanions, which effectively stabilizes the vanadium redox centers, allowing for high operating voltages and long-term structural integrity during repeated cycling. By utilizing the strong covalent bonding within the (PO4)3- units, these materials mitigate the degradation pathways often seen in traditional layered transition metal oxides. Notable members of this class include Na3V2(PO4)3, which is widely studied for its excellent power density and cycle life in sodium-ion batteries, and LiVPO4F, which leverages the high electronegativity of fluorine to push the operating potential to higher levels. The importance of vanadium phosphate cathodes lies in their ability to bridge the gap between high-energy density and high-power capability, making them ideal candidates for grid-scale energy storage and electric vehicle applications. Their inherent thermal stability also provides a significant safety advantage, as the strong P-O bonds prevent oxygen release at elevated temperatures. As research continues, the optimization of these materials through nanostructuring and carbon coating is further enhancing their electronic conductivity, solidifying their role as a cornerstone of next-generation battery technology.
Top Vanadium Phosphate Cathodes
Ranked by data richness — literature synthesis coverage, multi-source DFT corroboration, and patent activity.
| Formula | Band Gap | Best EAH (eV/atom) | Stability | DFT Sources | Recipes |
|---|---|---|---|---|---|
| LiVPO4 | 0.65–3.04 eV | 0.0000 | On hull (stable) | 2 | 0 |
| LiVPO5 | 1.04–3.16 eV | 0.0000 | On hull (stable) | 2 | 0 |
| LiVP2O7 | 0.07–2.63 eV | 0.0000 | On hull (stable) | 2 | 0 |
| LiVP3HO10 | 2.10–2.76 eV | 0.0365 | Metastable | 2 | 0 |
| Li2O14P4V2 | 0.07–2.63 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Li4O20P4V4 | 1.04–3.16 eV | 0.0000 | On hull (stable) | 2 | 0 |
| LiVP2HO8 | 1.25–1.54 eV | 0.0447 | Metastable | 2 | 0 |
| Li12O58P16V6 | 0.02–1.61 eV | 0.0182 | Near hull (likely stable) | 1 | 0 |
| Li5O29P8V3 | 0.02–1.34 eV | 0.0320 | Metastable | 1 | 0 |
| Li2VPHO5 | 2.62–2.83 eV | 0.0638 | Metastable | 2 | 0 |
| LiV2PO7 | 1.54 eV | 0.0906 | Metastable | 2 | 0 |
| LiO7P2V | 0.07–2.63 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Li4O16P4V4 | 0.65–3.04 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Li8O40P8V8 | 1.04–3.16 eV | 0.0000 | On hull (stable) | 1 | 0 |
| LiO4PV | 0.65–3.04 eV | 0.0000 | On hull (stable) | 1 | 0 |
| NaVPO5 | 1.27–2.52 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Li2VP2O7 | 0.26–3.14 eV | 0.0167 | Near hull (likely stable) | 1 | 0 |
| Na3VP2O9 | 0.43–1.13 eV | 0.0330 | Metastable | 1 | 0 |
| Na4O20P4V4 | 1.27–2.52 eV | 0.0000 | On hull (stable) | 1 | 0 |
| C2Na4O14P2V2 | 2.15 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Na2VPCO7 | 2.15 eV | 0.0000 | On hull (stable) | 1 | 0 |
| H2Li2O16P4V2 | 1.25–1.54 eV | 0.0447 | Metastable | 1 | 0 |
| Li3VPCO7 | 0.57–3.06 eV | 0.0686 | Metastable | 1 | 0 |
| Li4O14P4V2 | 0.26–3.14 eV | 0.0167 | Near hull (likely stable) | 1 | 0 |
| Li2O4PV | 1.26–2.97 eV | 0.0285 | Metastable | 1 | 0 |
| Li18O58P16V6 | 0.02–2.08 eV | 0.0002 | On hull (stable) | 1 | 0 |
| Li9O29P8V3 | 0.02–2.08 eV | 0.0002 | On hull (stable) | 1 | 0 |
| HLiO10P3V | 2.10–2.76 eV | 0.0365 | Metastable | 1 | 0 |
| Li4VP2O9 | 1.26–3.50 eV | 0.0721 | Metastable | 1 | 0 |
| C4Na12O28P4V4 | 1.02–2.52 eV | 0.0124 | Near hull (likely stable) | 1 | 0 |
| Li2VP3O10 | 2.14–2.22 eV | 0.0517 | Metastable | 1 | 0 |
| Li8O20P4V4 | 1.13–1.54 eV | 0.0763 | Metastable | 1 | 0 |
| B2Na4O14P2V2 | 0.29–1.52 eV | 0.0904 | Metastable | 1 | 0 |
| F2Li2O8P2V2 | 1.62–1.97 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Li16O36P8V4 | 1.26–3.50 eV | 0.0721 | Metastable | 1 | 0 |
| Li4O36P8V8 | 1.54 eV | 0.0107 | Near hull (likely stable) | 1 | 0 |
| Li4V2P4H3O16 | 0.60 eV | 0.0269 | Metastable | 1 | 0 |
| Li6O36P10V4 | 1.10 eV | 0.0758 | Metastable | 1 | 0 |
| LiV2P2HO9 | 1.16 eV | 0.0700 | Metastable | 1 | 0 |
| LiV2P3O10 | 2.70 eV | 0.0289 | Metastable | 1 | 0 |
| LiV3P5O19 | 1.07 eV | 0.0791 | Metastable | 1 | 0 |
| LiVPHO5 | 1.80–2.20 eV | 0.0000 | On hull (stable) | 1 | 0 |
| LiVPO4F | 1.62–1.97 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Na2VBPO7 | 0.29–1.52 eV | 0.0904 | Metastable | 1 | 0 |
| Na3VPCO7 | 1.02–2.52 eV | 0.0124 | Near hull (likely stable) | 1 | 0 |
| H3Li4O16P4V2 | 0.60 eV | 0.0269 | Metastable | 1 | 0 |
| H8Li4O38P8V6 | 1.79 eV | 0.0651 | Metastable | 1 | 0 |
| Li2VP2HO8 | 2.13–2.39 eV | 0.0010 | On hull (stable) | 1 | 0 |
| NaVPCO7 | 1.51–1.94 eV | 0.0367 | Metastable | 1 | 0 |
| B2H6Na2O20P4V2 | 0.33 eV | 0.0005 | On hull (stable) | 1 | 0 |
Frequently Asked Questions
How many vanadium phosphate cathodes are in the database?
195 vanadium phosphate cathodes are tracked, of which 12 have multi-source DFT validation and 0 have documented synthesis routes.
What is the most data-rich vanadium phosphate cathode?
Which vanadium phosphate cathode has the widest band gap?
Why are vanadium phosphate cathodes considered safer than traditional oxide cathodes?
What is the role of the NASICON structure in these materials?
Can vanadium phosphate cathodes be used for both lithium and sodium batteries?
How does the inductive effect influence the performance of these cathodes?
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