ZrP2O7

zirconium pyrophosphate · zirconium(IV) pyrophosphate

Zirconium pyrophosphate is a stable, insulating ceramic material utilized in high-temperature applications and specialized material synthesis.

OPZr
Crystal structure of ZrP2O7
Ground-state structure · Materials Project
Overview

About zirconium pyrophosphate

Zirconium pyrophosphate is a robust inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. Its structural integrity makes it a reliable candidate for applications requiring resistance to harsh chemical and thermal environments. The material is frequently studied for its role in advanced ceramics and as a precursor in the development of functional solid-state materials. Its ability to maintain structural order under diverse conditions underscores its importance in materials science research.

At a glance

Key Properties

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

Band Gap

4.09–4.47 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

7
3 databases, 2 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting ZrP2O7.

Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where zirconium pyrophosphate is used.

High-temperature ceramicsSolid-state electrolyte researchCatalyst support materialsThermal expansion control
Reference

Frequently Asked Questions

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

What is ZrP2O7?

Zirconium pyrophosphate is a stable, insulating ceramic material utilized in high-temperature applications and specialized material synthesis.

More questions
What is ZrP2O7 used for?
zirconium pyrophosphate (ZrP2O7) is used in high-temperature ceramics, solid-state electrolyte research, catalyst support materials, and thermal expansion control.
What is the band gap of ZrP2O7?
zirconium pyrophosphate (ZrP2O7) has a DFT-computed band gap of 4.09–4.47 eV across 7 reported structures.
Is ZrP2O7 a metal, semiconductor, or insulator?
With a wide band gap up to 4.47 eV it is an insulator / wide-band-gap material.
Is ZrP2O7 thermodynamically stable?
Yes — zirconium pyrophosphate (ZrP2O7) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of ZrP2O7 are known?
7 structures of ZrP2O7 are reported across 3 databases, spanning 2 distinct space groups.
How is ZrP2O7 synthesized?
Literature-reported routes for ZrP2O7 include solid state (2 procedures documented).
What elements does ZrP2O7 contain?
zirconium pyrophosphate (ZrP2O7) contains O, P, and Zr (3 elements).
Where does the data for ZrP2O7 come from?
ZrP2O7 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone member of its structural family, zirconium pyrophosphate serves as a primary reference point for investigating the properties of zirconium-based phosphate frameworks. Its position on the thermodynamic convex hull highlights its exceptional stability compared to less favorable phases in the system.

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

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