H4C5O2

H4C5O2 is an insulating, structurally diverse organic compound that exists in a metastable state.

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Crystal structure of H4C5O2
Ground-state structure · Materials Project
Overview

About H4C5O2

H4C5O2 is an organic-based compound composed of carbon, hydrogen, and oxygen. It functions as a wide-gap insulator, exhibiting electronic properties typical of non-conductive molecular materials.

While it demonstrates significant structural diversity with numerous reported configurations across databases, it is characterized as being above the thermodynamic hull. This suggests it is a metastable or unstable species that requires specific conditions for synthesis or preservation.

At a glance

Key Properties

Cross-validated computational properties for H4C5O2, aggregated across 4 databases.

Band Gap

3.33 eV
Range across DFT structures

Energy Above Hull

0.172 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

24
4 databases, 3 space groups
Reference

Frequently Asked Questions

Common questions about H4C5O2, answered from cross-validated data.

What is H4C5O2?

H4C5O2 is an insulating, structurally diverse organic compound that exists in a metastable state.

More questions
What is the band gap of H4C5O2?
H4C5O2 has a DFT-computed band gap of 3.33 eV across 24 reported structures.
Is H4C5O2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.33 eV it is an insulator / wide-band-gap material.
Is H4C5O2 thermodynamically stable?
H4C5O2 has a lowest energy above hull of 0.172 eV/atom (above hull).
How many polymorphs of H4C5O2 are known?
24 structures of H4C5O2 are reported across 4 databases, spanning 3 distinct space groups.
What elements does H4C5O2 contain?
H4C5O2 contains C, H, and O (3 elements).
Where does the data for H4C5O2 come from?
H4C5O2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique organic composition, H4C5O2 represents a specialized case within its chemical class, serving as a point of study for understanding the stability limits of carbon-hydrogen-oxygen frameworks.

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

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