NASICON-Type Electrolytes
Sodium (and lithium) super-ionic conductors built on corner-sharing MO6/PO4 frameworks, such as Na3Zr2Si2PO12 and LiTi2(PO4)3. Stable in air and water, they anchor most solid-state sodium battery designs.
Class Statistics
What are NASICON-Type Electrolytes?
NASICON-type electrolytes, an acronym for Sodium Super Ionic Conductors, represent a critical class of solid-state materials characterized by a robust three-dimensional framework. Chemically, these materials are built upon a rigid structure of corner-sharing octahedra and tetrahedra, typically involving transition metal oxides and phosphate groups. This open, interconnected lattice provides continuous pathways for alkali metal ions, such as sodium or lithium, to migrate with high mobility. The primary significance of NASICON-type materials lies in their exceptional chemical and electrochemical stability. Unlike many other solid electrolytes that are highly sensitive to moisture or ambient air, NASICON frameworks are generally robust, allowing for easier processing and handling in manufacturing environments. Furthermore, their wide electrochemical stability window makes them highly compatible with various high-voltage cathode materials, which is essential for the development of safe, high-energy-density solid-state batteries. Notable members of this family include the prototypical Na3Zr2Si2PO12, which serves as a benchmark for sodium-ion conductivity, and LiTi2(PO4)3, which has been extensively studied for lithium-based systems. By enabling the transition from flammable liquid electrolytes to non-flammable solid alternatives, these materials are foundational to the next generation of energy storage technology. Their ability to maintain structural integrity while facilitating rapid ion transport positions them as a cornerstone for reliable, long-lasting, and inherently safer battery architectures in both stationary grid storage and portable electronics.
Top NASICON-Type Electrolytes
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 |
|---|---|---|---|---|---|
| Na3O12PSi2Zr2 | 4.21–4.54 eV | 0.0000 | On hull (stable) | — | 24 |
| LiO12P3Ti2 | 2.30–2.76 eV | 0.0000 | On hull (stable) | — | 27 |
| LiTi2(PO4)3 | 2.58 eV | 0.0000 | On hull (stable) | — | 27 |
| Li2O24P6Ti4 | 2.89 eV | — | Not assessed | — | 27 |
| NaO12P3Zr2 | 4.20 eV | 0.0000 | On hull (stable) | — | 11 |
| NaZr2(PO4)3 | 4.50–4.71 eV | 0.0000 | On hull (stable) | — | 11 |
| LiGe2P3O12 | 3.62 eV | 0.0058 | Stable | 1 | 9 |
| Ge2LiO12P3 | 3.38–3.63 eV | 0.0094 | Near hull (likely stable) | — | 9 |
| NaO12P3Ti2 | 2.42–2.60 eV | 0.0000 | On hull (stable) | — | 9 |
| Na2O24P6Zr4 | 4.20 eV | — | Not assessed | — | 11 |
| LiGe2(PO4)3 | 4.16 eV | 0.0000 | On hull (stable) | — | 9 |
| NaTi2(PO4)3 | 2.49 eV | 0.0000 | On hull (stable) | — | 9 |
| LiO12P3Zr2 | 3.79–4.42 eV | 0.0000 | On hull (stable) | — | 8 |
| LiZr2(PO4)3 | 4.27–4.71 eV | 0.0000 | On hull (stable) | — | 8 |
| Na2O24P6Ti4 | 2.85 eV | — | Not assessed | — | 9 |
| Ge4Li2O24P6 | 3.31 eV | — | Not assessed | — | 9 |
| Li2O24P6Zr4 | 4.14 eV | — | Not assessed | — | 8 |
| Na3O12P3Sc2 | 4.52–4.71 eV | 0.0000 | On hull (stable) | — | 4 |
| Na3Sc2(PO4)3 | 4.89–5.11 eV | 0.0000 | On hull (stable) | — | 4 |
| NaO7P2Sc | 4.79 eV | 0.0000 | On hull (stable) | — | 1 |
| Na6O24P6Sc4 | 4.94 eV | — | Not assessed | — | 4 |
| Al2Na3O12P3 | 5.04–5.24 eV | 0.0119 | Near hull (likely stable) | — | 2 |
| LiTiP2O7 | 0.39 eV | 0.0018 | Stable | 1 | 0 |
| NaGe2P3O12 | 4.12 eV | 0.0000 | Stable | 1 | 1 |
| LiTiPO5 | 2.96–3.13 eV | 0.0000 | Stable | 1 | 0 |
| MgNa3O12P3Zr | 3.95–4.04 eV | 0.0055 | Near hull (likely stable) | — | 1 |
| AlNaO7P2 | 5.28 eV | 0.0091 | Near hull (likely stable) | — | 1 |
| LiNbO24P6Ti3 | 2.52 eV | 0.0121 | Near hull (likely stable) | — | 1 |
| Na5O13PSi2Ti2 | 2.53 eV | 0.0000 | On hull (stable) | — | 0 |
| LiScP2O7 | 4.91–5.30 eV | 0.0000 | Stable | 1 | 0 |
| CrLi2O12P3Ti | 1.77–2.45 eV | 0.0000 | On hull (stable) | — | 1 |
| FeLi2O12P3Ti | 2.37–2.45 eV | 0.0000 | On hull (stable) | — | 1 |
| Ge2NaO12P3 | 3.19–3.83 eV | 0.0000 | On hull (stable) | — | 1 |
| Li3O12P3Sc2 | 4.61–4.74 eV | 0.0000 | On hull (stable) | — | 1 |
| LiAlPHO5 | 6.20 eV | 0.0000 | Stable | 1 | 0 |
| Na9ZrP4ClO16 | 4.28–4.52 eV | 0.0000 | Stable | 1 | 0 |
| NaAlBP2H3O10 | 6.24–6.34 eV | 0.0000 | Stable | 1 | 0 |
| NaAlPO4F | 5.94–6.05 eV | 0.0000 | Stable | 1 | 0 |
| NaScP2O7 | 5.14–5.32 eV | 0.0000 | On hull (stable) | — | 1 |
| AlGe3Na3O24P6 | 2.82 eV | 0.0252 | Metastable | — | 1 |
| Li2Zr(PO4)2 | 4.07 eV | 0.0532 | Metastable | — | 1 |
| Li3O12P3Ti2 | 0.01–0.37 eV | 0.0553 | Metastable | — | 0 |
| LiO12P4Ti | 0.02–0.29 eV | 0.0217 | Near hull (likely stable) | — | 0 |
| Li3TiP2O8 | 0.14–0.37 eV | 0.0576 | Metastable | 1 | 0 |
| Li4TiMn3P4O16 | 0.06 eV | 0.0885 | Metastable | 1 | 0 |
| Na3AlP3NO9 | 5.15–5.34 eV | 0.0000 | Stable | 1 | 0 |
| Li2Al2P2O9F | 0.37 eV | 0.0353 | Metastable | 1 | 0 |
| Li2AlPCO7 | 5.82 eV | 0.0171 | Stable | 1 | 0 |
| Li2ScPCO7 | 4.34 eV | 0.0729 | Metastable | 1 | 0 |
| Li2TiPCO7 | 0.10 eV | 0.1515 | Unstable | 1 | 0 |
Frequently Asked Questions
How many nasicon-type electrolytes are in the database?
1,375 nasicon-type electrolytes are tracked, of which 0 have multi-source DFT validation and 37 have documented synthesis routes.
What is the most data-rich nasicon-type electrolyte?
Which nasicon-type electrolyte has the widest band gap?
What makes NASICON-type electrolytes different from traditional liquid electrolytes?
Are NASICON materials sensitive to environmental conditions?
Can NASICON electrolytes be used for both sodium and lithium batteries?
What is the primary role of the corner-sharing framework in these materials?
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