C6H12N2O2

C6H12N2O2 is an insulating organic compound with a complex molecular structure that is currently understood to be thermodynamically unstable.

CHNO
Overview

About C6H12N2O2

C6H12N2O2 is an organic molecular compound characterized by its wide-band-gap insulating electronic profile. Its composition of carbon, hydrogen, nitrogen, and oxygen suggests a complex molecular architecture typical of organic frameworks. The material is currently identified as being above the thermodynamic hull, indicating it is likely unstable under standard conditions. Despite this, it remains a subject of interest for structural studies, with multiple reported configurations documented in materials databases.

At a glance

Key Properties

Cross-validated computational properties for C6H12N2O2, aggregated across 3 databases.

Band Gap

4.79 eV
Range across DFT structures

Energy Above Hull

0.148 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

7
3 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about C6H12N2O2, answered from cross-validated data.

What is C6H12N2O2?

C6H12N2O2 is an insulating organic compound with a complex molecular structure that is currently understood to be thermodynamically unstable.

More questions
What is the band gap of C6H12N2O2?
C6H12N2O2 has a DFT-computed band gap of 4.79 eV across 7 reported structures.
Is C6H12N2O2 a metal, semiconductor, or insulator?
With a wide band gap up to 4.79 eV it is an insulator / wide-band-gap material.
Is C6H12N2O2 thermodynamically stable?
C6H12N2O2 has a lowest energy above hull of 0.148 eV/atom (above hull).
How many polymorphs of C6H12N2O2 are known?
7 structures of C6H12N2O2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does C6H12N2O2 contain?
C6H12N2O2 contains C, H, N, and O (4 elements).
Where does the data for C6H12N2O2 come from?
C6H12N2O2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique organic molecular entity, C6H12N2O2 occupies a specialized niche within the broader landscape of carbon-based compounds, representing a distinct structural arrangement that highlights the diversity of nitrogen-containing organic solids.

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

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