K3Na
K3Na is a metallic intermetallic compound formed from potassium and sodium that is considered a likely candidate for experimental synthesis.
About K3Na
K3Na is a metallic intermetallic compound composed of potassium and sodium. As a metallic system, it lacks a band gap and exhibits characteristic conductive behavior associated with alkali metal alloys. Its electronic structure is dominated by the delocalized valence electrons of its constituent elements.
This compound is notable for its proximity to the thermodynamic hull, suggesting it is a viable candidate for experimental synthesis. With numerous reported structures across multiple databases, it remains a subject of interest for researchers investigating the phase behavior and structural diversity of alkali metal mixtures.
Key Properties
Cross-validated computational properties for K3Na, 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.
Reported Structures
Lowest-energy structures reported for K3Na, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0231 | -5.382 | 0.90 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0273 | -5.377 | 0.89 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0274 | -5.377 | 0.89 |
| Pm-3m (No. 221) | Cubic | — | — | — | 0.90 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 0.92 |
| — | — | — | — | — | 0.94 |
| Pm-3m (No. 221) | — | — | — | — | — |
| — | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 0.93 |
| — | — | — | — | — | 0.93 |
| Pm-3m (No. 221) | Cubic | — | — | — | 0.93 |
Applications
Where K3Na is used.
Frequently Asked Questions
Common questions about K3Na, answered from cross-validated data.
What is K3Na?
K3Na is a metallic intermetallic compound formed from potassium and sodium that is considered a likely candidate for experimental synthesis.
What is K3Na used for?
What is the band gap of K3Na?
Is K3Na a metal, semiconductor, or insulator?
Is K3Na thermodynamically stable?
What is the crystal structure of K3Na?
What is the density of K3Na?
How many polymorphs of K3Na are known?
What elements does K3Na contain?
Where does the data for K3Na come from?
How It Compares
As an alkali-based intermetallic, K3Na represents a fundamental study in the alloying behavior of group one elements, serving as a baseline for understanding the structural complexity that arises when mixing different alkali metals.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- alexandria — Data from alexandria.
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