MoH4O5

MoH4O5 is a semiconducting inorganic compound containing molybdenum, hydrogen, and oxygen that is considered likely to be synthesizable.

HMoO
Crystal structure of MoH4O5
Ground-state structure · Materials Project
Overview

About MoH4O5

MoH4O5 is a semiconducting compound composed of molybdenum, hydrogen, and oxygen. Its electronic properties and structural configuration make it an intriguing subject for materials research, particularly in the study of complex oxides and hydroxides. Being identified as a near-hull material, it is considered thermodynamically accessible under appropriate experimental conditions. The compound benefits from a significant body of structural data, reflecting its potential for stable phase formation. It serves as a valuable reference point for researchers exploring the synthesis of novel molybdenum-based inorganic frameworks.

At a glance

Key Properties

Cross-validated computational properties for MoH4O5, aggregated across 4 databases.

Band Gap

0.79–2.67 eV
Range across DFT structures

Energy Above Hull

0.018 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

30
4 databases, 6 space groups
Uses

Applications

Where MoH4O5 is used.

Materials science researchCatalysis explorationInorganic synthesis studies
Reference

Frequently Asked Questions

Common questions about MoH4O5, answered from cross-validated data.

What is MoH4O5?

MoH4O5 is a semiconducting inorganic compound containing molybdenum, hydrogen, and oxygen that is considered likely to be synthesizable.

More questions
What is MoH4O5 used for?
MoH4O5 is used in materials science research, catalysis exploration, and inorganic synthesis studies.
What is the band gap of MoH4O5?
MoH4O5 has a DFT-computed band gap of 0.79–2.67 eV across 30 reported structures.
Is MoH4O5 a metal, semiconductor, or insulator?
With a band gap up to 2.67 eV it is a semiconductor.
Is MoH4O5 thermodynamically stable?
MoH4O5 has a lowest energy above hull of 0.018 eV/atom (near hull (likely stable)).
How many polymorphs of MoH4O5 are known?
30 structures of MoH4O5 are reported across 4 databases, spanning 6 distinct space groups.
What elements does MoH4O5 contain?
MoH4O5 contains H, Mo, and O (3 elements).
Where does the data for MoH4O5 come from?
MoH4O5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic phase, MoH4O5 occupies a distinct position within the landscape of molybdenum-oxygen-hydrogen compounds, offering a specific structural arrangement that differentiates it from simpler binary oxides.

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

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