KH
Potassium hydride · Potassium monohydride
Potassium hydride is a stable, insulating binary compound used extensively as a strong base in organic chemical synthesis.
About Potassium hydride
Potassium hydride is a binary inorganic compound composed of potassium and hydrogen. It exists as a wide-gap insulator and is recognized for its high thermodynamic stability, occupying a position on the convex hull that reflects its robust chemical nature.
This material is widely utilized in synthetic chemistry, primarily serving as a potent base for deprotonation reactions. Its ability to facilitate complex organic transformations makes it an essential reagent in laboratory settings where strong basicity is required to drive specific chemical pathways.
Key Properties
Cross-validated computational properties for Potassium hydride, 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.
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 KH. 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 KH, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 3.54 | 0.0000 | -0.326 | — |
| — | — | 3.50 | 0.0000 | -0.198 | — |
| Fm-3m (No. 225) | cubic | 3.43 | 0.0000 | -5.026 | 1.46 |
| — | — | 3.57 | 0.0003 | -0.198 | — |
| — | — | 3.66 | 0.0004 | -0.197 | — |
| — | — | 3.28 | 0.0268 | -0.171 | — |
| — | — | 3.52 | 0.0508 | -0.147 | — |
| — | — | 3.96 | 0.0655 | -0.132 | — |
| — | — | 2.43 | 0.0789 | -0.119 | — |
| — | — | 2.42 | 0.1635 | -0.034 | — |
| P-1 (No. 2) | triclinic | — | — | — | 0.74 |
| P-1 (No. 2) | triclinic | — | — | — | 1.12 |
Applications
Where Potassium hydride is used.
Frequently Asked Questions
Common questions about Potassium hydride, answered from cross-validated data.
What is KH?
Potassium hydride is a stable, insulating binary compound used extensively as a strong base in organic chemical synthesis.
What is KH used for?
What is the band gap of KH?
Is KH a metal, semiconductor, or insulator?
Is KH thermodynamically stable?
What is the crystal structure of KH?
How many polymorphs of KH are known?
What elements does KH contain?
Where does the data for KH come from?
How It Compares
As a fundamental binary hydride, potassium hydride serves as a key reference point for the reactivity of alkali metal hydrides. It is distinguished by its high reactivity and effectiveness as a base compared to lighter group members, functioning as a primary tool for chemists who require rapid and complete deprotonation in non-aqueous environments.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- 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.
Analyze KH in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →