Al2F2Na2O8P2

Al2F2Na2O8P2 is a NASICON-type insulating framework material being explored for potential applications in solid-state ionics.

Crystal structure of Al2F2Na2O8P2 (monoclinic, C2/c (No. 15))
Ground-state structure · Materials Project
Overview

About Al2F2Na2O8P2

Al2F2Na2O8P2 belongs to the NASICON-type electrolyte family, a class of materials defined by their robust framework structures capable of supporting ionic conduction. As a wide-gap insulator, it exhibits the electronic characteristics typical of stable, non-conducting frameworks that prioritize ion mobility over electron transport.

This compound is considered thermodynamically near-hull, suggesting it is a viable target for experimental synthesis and structural characterization. Its unique composition, incorporating fluorine alongside aluminum and phosphate groups, positions it as an intriguing variation within the broader NASICON structural landscape.

At a glance

Key Properties

Cross-validated computational properties for Al2F2Na2O8P2, aggregated across 3 databases.

Band Gap

5.44 eV
Range across DFT structures

Energy Above Hull

0.005 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Al2F2Na2O8P2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2/c (No. 15)monoclinic5.440.0054-7.1093.19
3.19
C2/c (No. 15)
Uses

Applications

Where Al2F2Na2O8P2 is used.

Solid-state electrolyte researchIon-conducting framework development
Reference

Frequently Asked Questions

Common questions about Al2F2Na2O8P2, answered from cross-validated data.

What is Al2F2Na2O8P2?

Al2F2Na2O8P2 is a NASICON-type insulating framework material being explored for potential applications in solid-state ionics.

More questions
What is Al2F2Na2O8P2 used for?
Al2F2Na2O8P2 is used in solid-state electrolyte research and ion-conducting framework development.
What is the band gap of Al2F2Na2O8P2?
Al2F2Na2O8P2 has a DFT-computed band gap of 5.44 eV across 3 reported structures.
Is Al2F2Na2O8P2 a metal, semiconductor, or insulator?
With a wide band gap up to 5.44 eV it is an insulator / wide-band-gap material.
Is Al2F2Na2O8P2 thermodynamically stable?
Al2F2Na2O8P2 has a lowest energy above hull of 0.005 eV/atom (near hull (likely stable)).
What is the crystal structure of Al2F2Na2O8P2?
The lowest-energy reported polymorph of Al2F2Na2O8P2 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of Al2F2Na2O8P2?
The computed density of the ground-state structure of Al2F2Na2O8P2 is 3.19 g/cm³.
How many polymorphs of Al2F2Na2O8P2 are known?
3 structures of Al2F2Na2O8P2 are reported across 3 databases, spanning 1 distinct space group.
What elements does Al2F2Na2O8P2 contain?
Al2F2Na2O8P2 contains Al, F, Na, O, and P (5 elements).
Where does the data for Al2F2Na2O8P2 come from?
Al2F2Na2O8P2 data is cross-referenced from materials_project, omat24, aflow.
Comparison

How It Compares

Within the nasicon-type electrolytes class.

While many NASICON-type materials like Na6O24P2Si4Zr4 are heavily optimized for high-performance sodium-ion conductivity, Al2F2Na2O8P2 represents a more specialized structural variant. Unlike the well-characterized titanium-based members such as LiTiP2O7, this aluminum-fluorine-bearing compound offers a distinct chemical environment that may provide different stability profiles or ionic pathways compared to its transition-metal-rich counterparts.

Explore

Related Compounds

Other NASICON-Type Electrolytes 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).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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