Ni2P2O7

nickel pyrophosphate · nickel(II) pyrophosphate

Nickel pyrophosphate is a stable, insulating phosphate-based oxide used primarily in the study of oxygen-evolution catalysis.

Crystal structure of Ni2P2O7
Ground-state structure · Materials Project
Overview

About nickel pyrophosphate

Nickel pyrophosphate is a thermodynamically stable inorganic compound characterized by its insulating electronic nature. As a member of the oxide oxygen-evolution catalyst family, it provides a robust structural framework that is highly relevant for electrochemical energy conversion research. Its presence across multiple structural databases highlights its significance as a well-defined material phase. The compound is primarily investigated for its catalytic potential in electrochemical systems where oxygen evolution is a critical process. Its stability makes it a reliable candidate for studies involving long-term performance in catalytic environments.

At a glance

Key Properties

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

Band Gap

1.11–3.59 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

12
3 databases, 2 space groups
Uses

Applications

Where nickel pyrophosphate is used.

Oxygen-evolution catalysisElectrochemical energy conversion research
Reference

Frequently Asked Questions

Common questions about nickel pyrophosphate, answered from cross-validated data.

What is Ni2P2O7?

Nickel pyrophosphate is a stable, insulating phosphate-based oxide used primarily in the study of oxygen-evolution catalysis.

More questions
What is Ni2P2O7 used for?
nickel pyrophosphate (Ni2P2O7) is used in oxygen-evolution catalysis and electrochemical energy conversion research.
What is the band gap of Ni2P2O7?
nickel pyrophosphate (Ni2P2O7) has a DFT-computed band gap of 1.11–3.59 eV across 12 reported structures.
Is Ni2P2O7 a metal, semiconductor, or insulator?
With a wide band gap up to 3.59 eV it is an insulator / wide-band-gap material.
Is Ni2P2O7 thermodynamically stable?
Yes — nickel pyrophosphate (Ni2P2O7) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ni2P2O7 are known?
12 structures of Ni2P2O7 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ni2P2O7 contain?
nickel pyrophosphate (Ni2P2O7) contains Ni, O, and P (3 elements).
Where does the data for Ni2P2O7 come from?
Ni2P2O7 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Unlike the highly conductive perovskite-structured oxides such as LaNiO3 or the layered lithium-based intercalation materials like LiCoO2 and LiNiO2, nickel pyrophosphate functions as a wide-gap insulator. While many members of this class are metallic or semi-conductive, this pyrophosphate offers a distinct chemical environment that differentiates its catalytic mechanism from the transition metal oxides like NiO or the complex spinels like LiMn2O4.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

Analyze Ni2P2O7 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →