KNa2
KNa2 is a metallic potassium-sodium alloy that is potentially synthesizable.
About KNa2
KNa2 is a metallic intermetallic compound composed of potassium and sodium. Its electronic character is defined by its metallic nature, lacking a band gap, which is typical for alloys formed between these alkali metals.
This compound is considered a near-hull phase, suggesting it is thermodynamically accessible and likely synthesizable under appropriate conditions. It serves as a point of interest for researchers investigating the phase behavior and structural properties of alkali metal systems.
Key Properties
Cross-validated computational properties for KNa2, 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 KNa2. 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 KNa2, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0029 | -4.379 | 0.96 |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 0.96 |
| — | — | — | — | — | 0.99 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 0.96 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 0.96 |
| No. 0 | unknown | — | — | — | 0.24 |
Applications
Where KNa2 is used.
Frequently Asked Questions
Common questions about KNa2, answered from cross-validated data.
What is KNa2?
KNa2 is a metallic potassium-sodium alloy that is potentially synthesizable.
What is KNa2 used for?
What is the band gap of KNa2?
Is KNa2 a metal, semiconductor, or insulator?
Is KNa2 thermodynamically stable?
What is the crystal structure of KNa2?
What is the density of KNa2?
How many polymorphs of KNa2 are known?
What elements does KNa2 contain?
Where does the data for KNa2 come from?
How It Compares
As a binary alkali metal alloy, KNa2 represents a specific stoichiometric arrangement within the broader landscape of potassium-sodium intermetallics. It occupies a unique structural niche, characterized by its potential for synthesis and its role in mapping the complex phase diagrams of alkali metal mixtures.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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