KNaO
This compound is a mixed alkali metal oxide containing both potassium and sodium. It is primarily studied in fundamental materials science research regarding the structural properties of complex oxide systems.
KNaO
Overview
Key Properties
Cross-validated computational properties for KNaO, 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.
2.13 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.
0.015 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.
Near hull (likely 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 KNaO, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 2.13 | 0.0149 | -3.789 | 2.68 |
| — | — | — | — | — | 2.06 |
| — | — | — | — | — | 2.06 |
| — | — | — | — | — | 2.06 |
| P4/nmm (No. 129) | — | — | — | — | — |
Uses
Applications
Where KNaO is used.
Fundamental materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about KNaO, answered from cross-validated data.
What is KNaO?
This compound is a mixed alkali metal oxide containing both potassium and sodium. It is primarily studied in fundamental materials science research regarding the structural properties of complex oxide systems.
More questions
What is KNaO used for?
KNaO is used in fundamental materials science research and solid-state chemistry studies.
What is the band gap of KNaO?
KNaO has a DFT-computed band gap of 2.13 eV across 5 reported structures.
Is KNaO a metal, semiconductor, or insulator?
With a band gap up to 2.13 eV it is a semiconductor.
Is KNaO thermodynamically stable?
KNaO has a lowest energy above hull of 0.015 eV/atom (near hull (likely stable)).
What is the crystal structure of KNaO?
The lowest-energy reported polymorph of KNaO is tetragonal symmetry, space group P4/nmm (No. 129).
What is the density of KNaO?
The computed density of the ground-state structure of KNaO is 2.68 g/cm³.
How many polymorphs of KNaO are known?
5 structures of KNaO are reported across 3 databases, spanning 1 distinct space group.
What elements does KNaO contain?
KNaO contains K, Na, and O (3 elements).
Where does the data for KNaO come from?
KNaO data is cross-referenced from materials_project, omat24, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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