K3NO3

K3NO3 is a stable, semiconducting inorganic compound consisting of potassium, nitrogen, and oxygen atoms.

KNO
Crystal structure of K3NO3 (tetragonal, I4cm (No. 108))
Ground-state structure · Materials Project
Overview

About K3NO3

K3NO3 is a distinct inorganic compound composed of potassium, nitrogen, and oxygen. As a thermodynamically stable material situated on the convex hull, it represents a robust configuration of these elements that warrants further investigation for specialized chemical applications. Its electronic character is defined as semiconducting, suggesting potential utility in electronic or optoelectronic device development where specific charge transport properties are required. The existence of multiple reported structures across databases highlights its structural versatility and interest within the materials science community.

At a glance

Key Properties

Cross-validated computational properties for K3NO3, aggregated across 3 databases.

Band Gap

0.22 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for K3NO3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
I4cm (No. 108)tetragonal0.220.0000-5.0792.25
I4cm (No. 108)Tetragonal2.11
I4cm (No. 108)Tetragonal2.18
I4cm (No. 108)Tetragonal2.13
I4cm (No. 108)
Uses

Applications

Where K3NO3 is used.

Materials science researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about K3NO3, answered from cross-validated data.

What is K3NO3?

K3NO3 is a stable, semiconducting inorganic compound consisting of potassium, nitrogen, and oxygen atoms.

More questions
What is K3NO3 used for?
K3NO3 is used in materials science research and solid-state chemistry studies.
What is the band gap of K3NO3?
K3NO3 has a DFT-computed band gap of 0.22 eV across 5 reported structures.
Is K3NO3 a metal, semiconductor, or insulator?
With a band gap up to 0.22 eV it is a semiconductor.
Is K3NO3 thermodynamically stable?
Yes — K3NO3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K3NO3?
The lowest-energy reported polymorph of K3NO3 is tetragonal symmetry, space group I4cm (No. 108).
What is the density of K3NO3?
The computed density of the ground-state structure of K3NO3 is 2.25 g/cm³.
How many polymorphs of K3NO3 are known?
5 structures of K3NO3 are reported across 3 databases, spanning 1 distinct space group.
What elements does K3NO3 contain?
K3NO3 contains K, N, and O (3 elements).
Where does the data for K3NO3 come from?
K3NO3 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a unique compound currently standing alone in its classification, K3NO3 serves as a foundational reference point for future studies into complex potassium-nitrogen-oxygen frameworks. Its stability and semiconducting nature distinguish it as a significant candidate for exploring new pathways in solid-state chemistry.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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