C4H20N12O16

C4H20N12O16 is a wide-gap insulating organic compound that exists in a metastable state.

CHNO
Crystal structure of C4H20N12O16
Ground-state structure · Materials Project
Overview

About C4H20N12O16

C4H20N12O16 is a complex organic-based compound characterized by a wide-band-gap insulating electronic structure. Its composition, rich in nitrogen and oxygen, suggests a molecular framework that is distinct from traditional inorganic solids.

This material is currently categorized as thermodynamically unstable, as it resides above the stability hull. With multiple reported structures, it remains a subject of interest for researchers investigating metastable phases and high-energy molecular configurations.

At a glance

Key Properties

Cross-validated computational properties for C4H20N12O16, aggregated across 3 databases.

Band Gap

3.52 eV
Range across DFT structures

Energy Above Hull

0.299 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

5
3 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about C4H20N12O16, answered from cross-validated data.

What is C4H20N12O16?

C4H20N12O16 is a wide-gap insulating organic compound that exists in a metastable state.

More questions
What is the band gap of C4H20N12O16?
C4H20N12O16 has a DFT-computed band gap of 3.52 eV across 5 reported structures.
Is C4H20N12O16 a metal, semiconductor, or insulator?
With a wide band gap up to 3.52 eV it is an insulator / wide-band-gap material.
Is C4H20N12O16 thermodynamically stable?
C4H20N12O16 has a lowest energy above hull of 0.299 eV/atom (above hull).
How many polymorphs of C4H20N12O16 are known?
5 structures of C4H20N12O16 are reported across 3 databases, spanning 2 distinct space groups.
What elements does C4H20N12O16 contain?
C4H20N12O16 contains C, H, N, and O (4 elements).
Where does the data for C4H20N12O16 come from?
C4H20N12O16 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique compound within its specific chemical space, C4H20N12O16 represents a specialized molecular assembly. Unlike more common, highly stable inorganic lattices, this material's metastable nature highlights the diversity of complex organic-inorganic hybrid frameworks that exist in computational databases.

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

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