K3NO4
Potassium orthonitrate is an inorganic compound that acts as an oxoanion salt of nitrogen. It is primarily studied in the context of high-pressure chemistry and fundamental solid-state research.
KNO
Overview
Key Properties
Cross-validated computational properties for K3NO4, aggregated across 3 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.
3.66 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 1 space group
Crystallography
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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 3.66 | 0.0000 | -5.317 | 2.65 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 2.52 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 2.62 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 2.57 |
| Pnma (No. 62) | — | — | — | — | — |
Uses
Applications
Where K3NO4 is used.
Fundamental chemical researchHigh-pressure materials science
Reference
Frequently Asked Questions
Common questions about K3NO4, answered from cross-validated data.
What is K3NO4?
Potassium orthonitrate is an inorganic compound that acts as an oxoanion salt of nitrogen. It is primarily studied in the context of high-pressure chemistry and fundamental solid-state research.
More questions
What is K3NO4 used for?
K3NO4 is used in fundamental chemical research and high-pressure materials science.
What is the band gap of K3NO4?
K3NO4 has a DFT-computed band gap of 3.66 eV across 5 reported structures.
Is K3NO4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.66 eV it is an insulator / wide-band-gap material.
Is K3NO4 thermodynamically stable?
Yes — K3NO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K3NO4?
The lowest-energy reported polymorph of K3NO4 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of K3NO4?
The computed density of the ground-state structure of K3NO4 is 2.65 g/cm³.
How many polymorphs of K3NO4 are known?
5 structures of K3NO4 are reported across 3 databases, spanning 1 distinct space group.
What elements does K3NO4 contain?
K3NO4 contains K, N, and O (3 elements).
Where does the data for K3NO4 come from?
K3NO4 data is cross-referenced from materials_project, mpaloe, jarvis.
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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