MoPO5

MoPO5 is a thermodynamically stable semiconducting molybdenum phosphate compound.

MoOP
Crystal structure of MoPO5
Ground-state structure · Materials Project
Overview

About MoPO5

MoPO5 is a thermodynamically stable inorganic compound composed of molybdenum, phosphorus, and oxygen. As a member of the phosphate family, it exhibits semiconducting electronic characteristics that make it a subject of interest for researchers investigating functional solid-state materials.

Its position on the convex hull indicates a high degree of structural stability, which is supported by its presence across multiple structural databases. This stability suggests that MoPO5 is a robust candidate for further experimental characterization and exploration in advanced material applications.

At a glance

Key Properties

Cross-validated computational properties for MoPO5, aggregated across 4 databases.

Band Gap

0.91–2.41 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

28
4 databases, 8 space groups
Reference

Frequently Asked Questions

Common questions about MoPO5, answered from cross-validated data.

What is MoPO5?

MoPO5 is a thermodynamically stable semiconducting molybdenum phosphate compound.

More questions
What is the band gap of MoPO5?
MoPO5 has a DFT-computed band gap of 0.91–2.41 eV across 28 reported structures.
Is MoPO5 a metal, semiconductor, or insulator?
With a band gap up to 2.41 eV it is a semiconductor.
Is MoPO5 thermodynamically stable?
Yes — MoPO5 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of MoPO5 are known?
28 structures of MoPO5 are reported across 4 databases, spanning 8 distinct space groups.
What elements does MoPO5 contain?
MoPO5 contains Mo, O, and P (3 elements).
Where does the data for MoPO5 come from?
MoPO5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct molybdenum-based phosphate, MoPO5 occupies a unique niche in solid-state chemistry. While it shares the general compositional features of transition metal phosphates, its specific stoichiometry and stable electronic configuration distinguish it as a well-defined phase within this chemical space.

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

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