Mg2P2O7

magnesium pyrophosphate · magnesium diphosphate

Magnesium pyrophosphate is a stable, insulating magnesium-based phosphate used primarily in advanced ceramic and optical material applications.

MgOP
Crystal structure of Mg2P2O7 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About magnesium pyrophosphate

Magnesium pyrophosphate is a thermodynamically stable inorganic compound composed of magnesium, phosphorus, and oxygen. As a wide-gap insulator, it exhibits excellent dielectric properties and structural integrity, making it a reliable material for high-temperature environments.

Its chemical stability ensures that it remains robust under various processing conditions, which is essential for its utility in technical ceramics. The compound is well-documented in materials databases, reflecting its importance in fundamental solid-state research and industrial synthesis.

At a glance

Key Properties

Cross-validated computational properties for magnesium pyrophosphate, aggregated across 4 databases.

Band Gap

5.14–5.32 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
4 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Mg2P2O7, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic5.140.0000-7.4103.11
C2/m (No. 12)monoclinic5.320.0027-7.4073.17
C2/m (No. 12)Monoclinic3.05
C2/m (No. 12)Monoclinic3.26
C2/m (No. 12)
C2/m (No. 12)Monoclinic3.11
No. 0unknown0.78
Uses

Applications

Where magnesium pyrophosphate is used.

Technical ceramicsOptical materialsDielectric componentsRefractory materials
Reference

Frequently Asked Questions

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

What is Mg2P2O7?

Magnesium pyrophosphate is a stable, insulating magnesium-based phosphate used primarily in advanced ceramic and optical material applications.

More questions
What is Mg2P2O7 used for?
magnesium pyrophosphate (Mg2P2O7) is used in technical ceramics, optical materials, dielectric components, and refractory materials.
What is the band gap of Mg2P2O7?
magnesium pyrophosphate (Mg2P2O7) has a DFT-computed band gap of 5.14–5.32 eV across 7 reported structures.
Is Mg2P2O7 a metal, semiconductor, or insulator?
With a wide band gap up to 5.32 eV it is an insulator / wide-band-gap material.
Is Mg2P2O7 thermodynamically stable?
Yes — magnesium pyrophosphate (Mg2P2O7) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Mg2P2O7?
The lowest-energy reported polymorph of magnesium pyrophosphate (Mg2P2O7) is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Mg2P2O7?
The computed density of the ground-state structure of magnesium pyrophosphate (Mg2P2O7) is 3.11 g/cm³.
How many polymorphs of Mg2P2O7 are known?
7 structures of Mg2P2O7 are reported across 4 databases, spanning 3 distinct space groups.
What elements does Mg2P2O7 contain?
magnesium pyrophosphate (Mg2P2O7) contains Mg, O, and P (3 elements).
Where does the data for Mg2P2O7 come from?
Mg2P2O7 data is cross-referenced from materials_project, mpaloe, jarvis, cod.
Comparison

How It Compares

As a stable magnesium-based phosphate, this compound serves as a foundational example of the pyrophosphate family, characterized by its reliable structural phase behavior and insulating electronic nature compared to more reactive or conductive phosphate variants.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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