CoH3

CoH3 is an unstable, metallic cobalt-hydrogen compound known for its extensive structural complexity.

CoH
Crystal structure of CoH3
Ground-state structure · Materials Project
Overview

About CoH3

CoH3 is a metallic hydride composed of cobalt and hydrogen. Due to its electronic character, it exhibits conductive properties typical of metallic systems, making it a subject of interest for researchers investigating the behavior of transition metal hydrides under extreme conditions. The compound is notable for its structural diversity, with numerous reported configurations across various databases. As a material that sits above the thermodynamic hull, it is considered inherently unstable under ambient conditions, which highlights the challenges in its synthesis and characterization. Its study is primarily driven by the fundamental physics of metal-hydrogen interactions and the search for novel phases in high-pressure chemistry.

At a glance

Key Properties

Cross-validated computational properties for CoH3, aggregated across 4 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.153 eV/atom
Best (lowest) across sources

Stability

Above hull
3 DFT sources

Structures

42
4 databases, 14 space groups
Uses

Applications

Where CoH3 is used.

High-pressure physics researchFundamental materials science studiesHydrogen storage research
Reference

Frequently Asked Questions

Common questions about CoH3, answered from cross-validated data.

What is CoH3?

CoH3 is an unstable, metallic cobalt-hydrogen compound known for its extensive structural complexity.

More questions
What is CoH3 used for?
CoH3 is used in high-pressure physics research, fundamental materials science studies, and hydrogen storage research.
What is the band gap of CoH3?
CoH3 is computed to be metallic (no band gap) in the reported DFT structures.
Is CoH3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is CoH3 thermodynamically stable?
CoH3 has a lowest energy above hull of 0.153 eV/atom (above hull).
How many polymorphs of CoH3 are known?
42 structures of CoH3 are reported across 4 databases, spanning 14 distinct space groups.
What elements does CoH3 contain?
CoH3 contains Co and H (2 elements).
Where does the data for CoH3 come from?
CoH3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a member of the transition metal hydride family, CoH3 represents a complex, structurally rich system that lacks a stable ground state at standard pressure. Unlike more conventional, stable hydrides, its position above the thermodynamic hull suggests that its existence is highly dependent on specific environmental constraints, positioning it as a specialized subject for theoretical and experimental exploration rather than a standard industrial material.

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

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