MoP2O7

MoP2O7 is a thermodynamically stable, semiconducting molybdenum phosphate compound.

MoOP
Crystal structure of MoP2O7
Ground-state structure · Materials Project
Overview

About MoP2O7

MoP2O7 is a semiconducting molybdenum phosphate characterized by its notable thermodynamic stability. As a compound residing on the convex hull, it represents a highly favorable structural arrangement within the molybdenum-phosphorus-oxygen system. Its electronic properties make it a subject of interest for researchers investigating stable inorganic semiconductors for specialized functional applications. The material is well-documented in structural databases, reflecting its significance in solid-state chemistry. Its robust nature and well-defined structural framework provide a reliable platform for studying the interplay between transition metal centers and phosphate networks. This stability makes it a valuable candidate for further exploration in materials design and synthesis.

At a glance

Key Properties

Cross-validated computational properties for MoP2O7, aggregated across 3 databases.

Band Gap

1.13–1.98 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

21
3 databases, 6 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting MoP2O7.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where MoP2O7 is used.

semiconductor researchsolid-state chemistry studiescatalysis development
Reference

Frequently Asked Questions

Common questions about MoP2O7, answered from cross-validated data.

What is MoP2O7?

MoP2O7 is a thermodynamically stable, semiconducting molybdenum phosphate compound.

More questions
What is MoP2O7 used for?
MoP2O7 is used in semiconductor research, solid-state chemistry studies, and catalysis development.
What is the band gap of MoP2O7?
MoP2O7 has a DFT-computed band gap of 1.13–1.98 eV across 21 reported structures.
Is MoP2O7 a metal, semiconductor, or insulator?
With a band gap up to 1.98 eV it is a semiconductor.
Is MoP2O7 thermodynamically stable?
Yes — MoP2O7 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of MoP2O7 are known?
21 structures of MoP2O7 are reported across 3 databases, spanning 6 distinct space groups.
How is MoP2O7 synthesized?
Literature-reported routes for MoP2O7 include solid state.
What elements does MoP2O7 contain?
MoP2O7 contains Mo, O, and P (3 elements).
Where does the data for MoP2O7 come from?
MoP2O7 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable phase, MoP2O7 serves as a benchmark for inorganic phosphates containing molybdenum. Its position on the convex hull distinguishes it as a preferred structural state, providing a foundational reference point for understanding the energetic landscape of similar metal-phosphate systems.

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

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