K3NO4
K3NO4 is a thermodynamically stable, insulating inorganic compound composed of potassium, nitrogen, and oxygen.
About K3NO4
K3NO4 is a complex inorganic compound composed of potassium, nitrogen, and oxygen. It is characterized as a wide-band-gap insulator, indicating that it does not readily conduct electricity under standard conditions.
This material is notable for its thermodynamic stability, as it sits on the convex hull of its constituent elements. With multiple reported structures across various databases, it represents an interesting subject for structural studies in solid-state chemistry.
Key Properties
Cross-validated computational properties for K3NO4, 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 K3NO4. 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 K3NO4, 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. |
|---|---|---|---|---|---|
| — | — | 4.22 | 0.0000 | -1.269 | — |
| Pnma (No. 62) | orthorhombic | 4.11 | 0.0000 | -1.198 | — |
| Pnma (No. 62) | orthorhombic | 3.66 | 0.0000 | -5.317 | 2.65 |
| — | — | 0.54 | 0.1481 | -1.121 | — |
| Pnma (No. 62) | orthorhombic | — | — | — | 2.52 |
| Pnma (No. 62) | orthorhombic | — | — | — | 2.57 |
| Pnma (No. 62) | orthorhombic | — | — | — | 2.64 |
| Pnma (No. 62) | orthorhombic | — | — | — | 2.62 |
Frequently Asked Questions
Common questions about K3NO4, answered from cross-validated data.
What is K3NO4?
K3NO4 is a thermodynamically stable, insulating inorganic compound composed of potassium, nitrogen, and oxygen.
What is the band gap of K3NO4?
Is K3NO4 a metal, semiconductor, or insulator?
Is K3NO4 thermodynamically stable?
What is the crystal structure of K3NO4?
How many polymorphs of K3NO4 are known?
What elements does K3NO4 contain?
Where does the data for K3NO4 come from?
How It Compares
As a unique inorganic compound, K3NO4 occupies a distinct position in materials research. Without direct siblings in its specific class, it serves as a foundational example of stable, insulating ternary oxides containing nitrogen, providing a reference point for future exploration of similar complex ionic lattices.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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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