K4N12O16

K4N12O16 is a semiconducting potassium nitrogen oxide that exists in a metastable state.

KNO
Crystal structure of K4N12O16 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About K4N12O16

K4N12O16 is a complex inorganic compound composed of potassium, nitrogen, and oxygen. As a semiconducting material, it represents a unique chemical arrangement that has been characterized across multiple structural configurations in computational studies. Its electronic profile suggests potential for specialized functional applications where specific charge transport properties are required. The compound is categorized as being above the thermodynamic hull, indicating that it is likely metastable under standard conditions. This inherent instability makes it a subject of significant interest for researchers investigating high-energy density materials or transient phases that may exist under non-equilibrium synthesis conditions.

At a glance

Key Properties

Cross-validated computational properties for K4N12O16, aggregated across 3 databases.

Band Gap

2.86 eV
Range across DFT structures

Energy Above Hull

0.240 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

12
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for K4N12O16, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic2.860.2397-6.5202.03
No. 0unknown0.55
P21/c (No. 14)
P21/c (No. 14)
No. 0unknown0.56
P21/c (No. 14)
P21/c (No. 14)
No. 0unknown0.57
No. 0unknown0.57
No. 0unknown0.55
No. 0unknown0.55
No. 0unknown0.56
Uses

Applications

Where K4N12O16 is used.

Fundamental materials researchHigh-energy density material studiesSolid-state chemistry modeling
Reference

Frequently Asked Questions

Common questions about K4N12O16, answered from cross-validated data.

What is K4N12O16?

K4N12O16 is a semiconducting potassium nitrogen oxide that exists in a metastable state.

More questions
What is K4N12O16 used for?
K4N12O16 is used in fundamental materials research, high-energy density material studies, and solid-state chemistry modeling.
What is the band gap of K4N12O16?
K4N12O16 has a DFT-computed band gap of 2.86 eV across 12 reported structures.
Is K4N12O16 a metal, semiconductor, or insulator?
With a band gap up to 2.86 eV it is a semiconductor.
Is K4N12O16 thermodynamically stable?
K4N12O16 has a lowest energy above hull of 0.240 eV/atom (above hull).
What is the crystal structure of K4N12O16?
The lowest-energy reported polymorph of K4N12O16 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of K4N12O16?
The computed density of the ground-state structure of K4N12O16 is 2.03 g/cm³.
How many polymorphs of K4N12O16 are known?
12 structures of K4N12O16 are reported across 3 databases, spanning 2 distinct space groups.
What elements does K4N12O16 contain?
K4N12O16 contains K, N, and O (3 elements).
Where does the data for K4N12O16 come from?
K4N12O16 data is cross-referenced from materials_project, cod, aflow.
Comparison

How It Compares

As a unique inorganic phase, K4N12O16 serves as a distinct example of nitrogen-rich potassium compounds. Without direct structural analogs in its immediate class, it stands as an outlier in chemical space, providing a valuable case study for understanding the stability limits of complex oxynitride-like frameworks.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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