Solid Electrolytes

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.

At a glance

Class Statistics

Compounds Tracked
139
Multi-Source DFT
10
With Synthesis Routes
0
Avg. Agreement
Overview

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.

Members

Top NASICON-Type Electrolytes

Ranked by data richness — literature synthesis coverage, multi-source DFT corroboration, and patent activity.

FormulaBand GapBest EAH (eV/atom)StabilityDFT SourcesRecipes
LiTiP2O70.04–0.28 eV0.0539Metastable20
LiTiPO53.11 eV0.0000On hull (stable)20
Na4O20P4Ti42.83–3.19 eV0.0004On hull (stable)20
Al2F2Na2O8P25.44 eV0.0054Near hull (likely stable)20
Na6O24P2Si4Zr44.23–4.54 eV0.0000On hull (stable)10
Na10O26P2Si4Ti42.53 eV0.0000On hull (stable)10
Li2O14P4Ti20.04–0.28 eV0.0539Metastable10
Li4O20P4Ti43.11 eV0.0000On hull (stable)10
C8Na8O56P8Zr84.01 eV0.0390Metastable10
Al4N4Na12O36P125.15 eV0.0000On hull (stable)10
C2Hf2Li2O14P24.87 eV0.0532Metastable10
C2Li2O14P2Ti22.73–2.84 eV0.0249Near hull (likely stable)10
C4Ge4Na12O28P43.64–4.19 eV0.0666Metastable10
H4Al6F2Li6O28P65.77 eV0.0110Near hull (likely stable)10
Na3AlP3NO95.15 eV0.0000On hull (stable)10
Na40O90P20Ti102.74–2.85 eV0.0000On hull (stable)10
Na4O28P8Ti40.11 eV0.0589Metastable10
Al2B2H6Na2O20P45.79 eV0.0059Near hull (likely stable)10
Al2H2Li2O10P25.73 eV0.0052Near hull (likely stable)10
Al2H4Na6O18P44.49 eV0.0000On hull (stable)10
Al4Na4O28P85.28 eV0.0091Near hull (likely stable)10
Al6Li18O58P165.36 eV0.0106Near hull (likely stable)10
C8Hf8Li8O56P84.87 eV0.0532Metastable10
Cl1Na9O16P4Zr13.99 eV0.0000On hull (stable)10
ClNa9O16P4Zr3.99 eV0.0000On hull (stable)10
H2Li4O16P4Sc24.77 eV0.0000On hull (stable)10
Li2Al2P2O9F0.35 eV0.0629Metastable10
Li2AlPCO75.73 eV0.0326Metastable10
Li2O14P4Sc24.76 eV0.0000On hull (stable)10
Li2ScPCO74.47 eV0.0473Metastable10
Li2TiPCO70.25 eV0.1301Above hull10
LiAlPHO55.73 eV0.0052Near hull (likely stable)10
LiAlPO50.29 eV0.1106Above hull10
LiGePCO73.90 eV0.0602Metastable10
LiScP2O74.76 eV0.0000On hull (stable)10
LiTiPO4F0.16 eV0.0579Metastable10
Na2AlPCO75.07 eV0.0000On hull (stable)10
Na2ScPCO74.35 eV0.0000On hull (stable)10
Na9ZrP4ClO163.99 eV0.0000On hull (stable)10
NaAlBP2H3O105.79 eV0.0059Near hull (likely stable)10
NaAlPO4F5.44 eV0.0054Near hull (likely stable)10
N4Na12O36P12Ti4Metallic / not reported0.0135Near hull (likely stable)10
Na2O26P6Ti6Metallic / not reported0.0568Metastable10
Na2O24P6Ti4Metallic / not reportedNot assessed20
Al2Ca4Na10O32P8Metallic / not reportedNot assessed20
Ge4Li2O24P6Metallic / not reportedNot assessed20
Na2O6PTiMetallic / not reportedNot assessed20
Na8O24P6Sc4Metallic / not reportedNot assessed20
NaO8P2TiMetallic / not reportedNot assessed20
H16Al12Na4O48P8Metallic / not reportedNot assessed10
Reference

Frequently Asked Questions

How many nasicon-type electrolytes are in the database?

139 nasicon-type electrolytes are tracked, of which 10 have multi-source DFT validation and 0 have documented synthesis routes.

More questions
What is the most data-rich nasicon-type electrolyte?
LiTiP2O7 is the most thoroughly characterized, with 21 reported structures.
Which nasicon-type electrolyte has the widest band gap?
Among the top compounds, Al2B2H6Na2O20P4 has the widest reported DFT band gap (5.79 eV).
What makes NASICON-type electrolytes different from traditional liquid electrolytes?
NASICON-type electrolytes are solid-state materials, which eliminates the risk of leakage and flammability associated with the liquid solvents used in conventional batteries.
Are NASICON materials sensitive to environmental conditions?
One of the key advantages of NASICON-type electrolytes is their relative stability in air and water, which simplifies the assembly process compared to moisture-sensitive solid electrolytes.
Can NASICON electrolytes be used for both sodium and lithium batteries?
Yes, while the NASICON framework was originally developed for sodium ion transport, the structural architecture is versatile and has been adapted for lithium-ion conductive systems as well.
What is the primary role of the corner-sharing framework in these materials?
The corner-sharing MO6/PO4 framework creates a stable, three-dimensional network of channels that allows alkali ions to move efficiently through the crystal structure with minimal resistance.
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