C4H14N14O12

C4H14N14O12 is a nitrogen-rich molecular compound with semiconducting properties that is currently being investigated for its structural stability.

CHNO
Crystal structure of C4H14N14O12
Ground-state structure · Materials Project
Overview

About C4H14N14O12

C4H14N14O12 is a complex molecular compound characterized by a high nitrogen content and a semiconducting electronic profile. Its structural composition suggests a specialized role in fundamental materials research where high-density nitrogen frameworks are of interest.

Due to its position above the thermodynamic hull, this compound is considered metastable, making it a subject of interest for experimental synthesis and stability studies. Its unique atomic arrangement provides a distinct platform for exploring high-energy density materials.

At a glance

Key Properties

Cross-validated computational properties for C4H14N14O12, aggregated across 3 databases.

Band Gap

2.15–2.24 eV
Range across DFT structures

Energy Above Hull

0.555 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

4
3 databases, 2 space groups
Uses

Applications

Where C4H14N14O12 is used.

High-energy density materials researchFundamental chemical synthesis studiesSemiconductor materials exploration
Reference

Frequently Asked Questions

Common questions about C4H14N14O12, answered from cross-validated data.

What is C4H14N14O12?

C4H14N14O12 is a nitrogen-rich molecular compound with semiconducting properties that is currently being investigated for its structural stability.

More questions
What is C4H14N14O12 used for?
C4H14N14O12 is used in high-energy density materials research, fundamental chemical synthesis studies, and semiconductor materials exploration.
What is the band gap of C4H14N14O12?
C4H14N14O12 has a DFT-computed band gap of 2.15–2.24 eV across 4 reported structures.
Is C4H14N14O12 a metal, semiconductor, or insulator?
With a band gap up to 2.24 eV it is a semiconductor.
Is C4H14N14O12 thermodynamically stable?
C4H14N14O12 has a lowest energy above hull of 0.555 eV/atom (above hull).
How many polymorphs of C4H14N14O12 are known?
4 structures of C4H14N14O12 are reported across 3 databases, spanning 2 distinct space groups.
What elements does C4H14N14O12 contain?
C4H14N14O12 contains C, H, N, and O (4 elements).
Where does the data for C4H14N14O12 come from?
C4H14N14O12 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique compound within its specific chemical space, C4H14N14O12 serves as a specialized example of nitrogen-rich molecular solids, offering researchers a distinct case study for investigating the stability and electronic behavior of complex, high-nitrogen frameworks.

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

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