K2Se5
K2Se5 is a semiconducting potassium selenide compound that exists as a metastable phase in inorganic chemistry.
About K2Se5
K2Se5 is a complex potassium selenide characterized by its semiconducting electronic nature. As a material that resides above the thermodynamic hull, it represents a metastable phase that offers unique insights into the structural diversity of alkali metal chalcogenides.
Its existence across multiple reported structures highlights the structural flexibility inherent in selenium-rich systems. This compound serves as a valuable subject for fundamental studies in solid-state chemistry, particularly regarding the synthesis of non-equilibrium phases in complex inorganic frameworks.
Key Properties
Cross-validated computational properties for K2Se5, aggregated across 4 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 K2Se5. 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 K2Se5, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 0.93 | 0.0000 | -3.727 | 3.69 |
| — | — | 0.87 | 0.0000 | -0.603 | — |
| P212121 (No. 19) | orthorhombic | 0.72 | 0.0025 | -0.629 | — |
| — | — | 0.92 | 0.0213 | -0.581 | — |
| P212121 (No. 19) | orthorhombic | — | — | — | 3.50 |
| P212121 (No. 19) | orthorhombic | — | — | — | 3.42 |
| P212121 (No. 19) | orthorhombic | — | — | — | 3.54 |
Applications
Where K2Se5 is used.
Frequently Asked Questions
Common questions about K2Se5, answered from cross-validated data.
What is K2Se5?
K2Se5 is a semiconducting potassium selenide compound that exists as a metastable phase in inorganic chemistry.
What is K2Se5 used for?
What is the band gap of K2Se5?
Is K2Se5 a metal, semiconductor, or insulator?
Is K2Se5 thermodynamically stable?
What is the crystal structure of K2Se5?
What is the density of K2Se5?
How many polymorphs of K2Se5 are known?
What elements does K2Se5 contain?
Where does the data for K2Se5 come from?
How It Compares
As a member of the alkali metal selenide family, K2Se5 occupies a specialized niche where its metastability distinguishes it from more common, highly stable binary phases. It serves as an example of the complex structural landscape found in higher-order chalcogenides, where the arrangement of selenium chains dictates its electronic properties.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- 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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