K2Se
potassium selenide · dipotassium selenide
Potassium selenide is a stable, semiconducting binary compound used as a chemical precursor and a model material in solid-state research.
About potassium selenide
Potassium selenide is a binary inorganic compound composed of potassium and selenium. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within its chemical system, supported by a significant body of structural data across multiple databases. Its electronic character is defined as semiconducting, making it a subject of interest for fundamental studies in chalcogenide chemistry. The material is primarily utilized as a precursor in the synthesis of more complex selenide-based materials and thin-film semiconductors. Its stability and well-characterized structural landscape provide a reliable foundation for researchers investigating the electronic and optical properties of alkali metal chalcogenides.
Key Properties
Cross-validated computational properties for potassium selenide, aggregated across 6 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 K2Se. 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 K2Se, 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. |
|---|---|---|---|---|---|
| — | — | 2.30 | 0.0000 | -1.111 | — |
| Fm-3m (No. 225) | cubic | 2.09 | 0.0000 | -3.159 | 2.31 |
| Immm (No. 71) | orthorhombic | 2.03 | 0.0000 | -1.224 | — |
| — | — | 2.30 | 0.0002 | -1.111 | — |
| Fm-3m (No. 225) | cubic | 2.17 | 0.0166 | -1.207 | — |
| — | — | 2.14 | 0.0255 | -1.085 | — |
| — | — | 2.10 | 0.0256 | -1.085 | — |
| — | — | 1.84 | 0.0309 | -1.080 | — |
| — | — | 1.97 | 0.0653 | -1.045 | — |
| — | — | 1.76 | 0.0744 | -1.036 | — |
| — | — | 1.90 | 0.0745 | -1.036 | — |
| — | — | 2.07 | 0.0837 | -1.027 | — |
Applications
Where potassium selenide is used.
Frequently Asked Questions
Common questions about potassium selenide, answered from cross-validated data.
What is K2Se?
Potassium selenide is a stable, semiconducting binary compound used as a chemical precursor and a model material in solid-state research.
What is K2Se used for?
What is the band gap of K2Se?
Is K2Se a metal, semiconductor, or insulator?
Is K2Se thermodynamically stable?
What is the crystal structure of K2Se?
What is the density of K2Se?
How many polymorphs of K2Se are known?
What elements does K2Se contain?
Where does the data for K2Se come from?
How It Compares
As a binary alkali metal selenide, this compound serves as a fundamental reference point for understanding the bonding and structural behavior of group one chalcogenides, establishing a baseline for the properties of more complex ternary or quaternary selenide systems.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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