K3NO3
K3NO3 is a stable, semiconducting inorganic compound consisting of potassium, nitrogen, and oxygen atoms.
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.
Key Properties
Cross-validated computational properties for K3NO3, aggregated across 5 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of K3NO3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for K3NO3, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| — | — | 0.27 | 0.0000 | -1.198 | — |
| I4cm (No. 108) | tetragonal | 0.22 | 0.0000 | -5.079 | 2.25 |
| I4cm (No. 108) | tetragonal | 0.27 | 0.0064 | -1.139 | — |
| I4cm (No. 108) | tetragonal | — | — | — | 2.13 |
| I4cm (No. 108) | tetragonal | — | — | — | 2.11 |
| I4cm (No. 108) | tetragonal | — | — | — | 2.18 |
| Pm-3m (No. 221) | cubic | — | — | — | 2.10 |
| I4cm (No. 108) | tetragonal | — | — | — | 2.15 |
Applications
Where K3NO3 is used.
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.
What is K3NO3 used for?
What is the band gap of K3NO3?
Is K3NO3 a metal, semiconductor, or insulator?
Is K3NO3 thermodynamically stable?
What is the crystal structure of K3NO3?
What is the density of K3NO3?
How many polymorphs of K3NO3 are known?
What elements does K3NO3 contain?
Where does the data for K3NO3 come from?
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
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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