NaNiPO4

NaNiPO4 is a stable, insulating transition-metal phosphate that serves as an important research material for exploring sodium-based electrochemical frameworks.

Crystal structure of NaNiPO4
Ground-state structure · Materials Project
Overview

About NaNiPO4

NaNiPO4 is a transition-metal phosphate characterized by its wide-gap insulating electronic profile. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration within its chemical family, supported by significant data across multiple structural databases. Its inherent stability makes it a compelling candidate for fundamental research into ion-conducting frameworks.

The material is primarily investigated for its potential utility in electrochemical systems and battery technology. By leveraging the redox activity of the nickel center within the phosphate framework, researchers explore its capacity to facilitate ion transport and storage, positioning it as a functional component in the ongoing development of next-generation solid-state materials.

At a glance

Key Properties

Cross-validated computational properties for NaNiPO4, aggregated across 3 databases.

Band Gap

0.96–3.71 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

16
3 databases, 2 space groups
Uses

Applications

Where NaNiPO4 is used.

Battery researchSolid-state ionicsElectrochemical energy storage
Reference

Frequently Asked Questions

Common questions about NaNiPO4, answered from cross-validated data.

What is NaNiPO4?

NaNiPO4 is a stable, insulating transition-metal phosphate that serves as an important research material for exploring sodium-based electrochemical frameworks.

More questions
What is NaNiPO4 used for?
NaNiPO4 is used in battery research, solid-state ionics, and electrochemical energy storage.
What is the band gap of NaNiPO4?
NaNiPO4 has a DFT-computed band gap of 0.96–3.71 eV across 16 reported structures.
Is NaNiPO4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.71 eV it is an insulator / wide-band-gap material.
Is NaNiPO4 thermodynamically stable?
Yes — NaNiPO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of NaNiPO4 are known?
16 structures of NaNiPO4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does NaNiPO4 contain?
NaNiPO4 contains Na, Ni, O, and P (4 elements).
Where does the data for NaNiPO4 come from?
NaNiPO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the transition-metal phosphates class.

Within the diverse family of transition-metal phosphates, NaNiPO4 serves as a structural analog to well-known battery cathode materials like LiFePO4 and LiMnPO4. While its lithium-based counterparts are extensively deployed in commercial energy storage, NaNiPO4 provides a distinct sodium-based framework that offers unique insights into the influence of alkali-metal substitution on the stability and electrochemical performance of phosphate-based materials.

Explore

Related Compounds

Other Transition-Metal Phosphates in the database.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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