HC2

HC2 is a semiconducting carbon-hydrogen compound that exhibits high structural diversity despite being thermodynamically unstable.

CH
Crystal structure of HC2
Ground-state structure · Materials Project
Overview

About HC2

HC2 is a carbon-hydrogen compound characterized by its semiconducting electronic nature. Despite its relatively simple elemental composition, it exhibits significant structural complexity as evidenced by the hundreds of reported configurations across various databases.

Due to its position relative to the thermodynamic hull, this material is considered metastable or unstable under standard conditions. Its study remains a point of interest for researchers investigating the diverse bonding possibilities within carbon-based systems.

At a glance

Key Properties

Cross-validated computational properties for HC2, aggregated across 4 databases.

Band Gap

2.50 eV
Range across DFT structures

Energy Above Hull

0.107 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

320
4 databases, 35 space groups
Uses

Applications

Where HC2 is used.

Fundamental materials researchComputational chemistry modelingHigh-pressure phase exploration
Reference

Frequently Asked Questions

Common questions about HC2, answered from cross-validated data.

What is HC2?

HC2 is a semiconducting carbon-hydrogen compound that exhibits high structural diversity despite being thermodynamically unstable.

More questions
What is HC2 used for?
HC2 is used in fundamental materials research, computational chemistry modeling, and high-pressure phase exploration.
What is the band gap of HC2?
HC2 has a DFT-computed band gap of 2.50 eV across 320 reported structures.
Is HC2 a metal, semiconductor, or insulator?
With a band gap up to 2.50 eV it is a semiconductor.
Is HC2 thermodynamically stable?
HC2 has a lowest energy above hull of 0.107 eV/atom (above hull).
How many polymorphs of HC2 are known?
320 structures of HC2 are reported across 4 databases, spanning 35 distinct space groups.
What elements does HC2 contain?
HC2 contains C and H (2 elements).
Where does the data for HC2 come from?
HC2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As an unclassified material, HC2 represents a unique case study in carbon-hydrogen chemistry. Unlike more stable, well-defined hydrocarbons, its structural diversity suggests a complex energy landscape that distinguishes it from more conventional, thermodynamically favored phases.

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

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