K5Te3
K5Te3 is a stable, semiconducting binary compound formed from potassium and tellurium that is frequently studied for its structural properties.
About K5Te3
K5Te3 is a binary inorganic compound consisting of potassium and tellurium. It is recognized as a thermodynamically stable phase that sits directly on the convex hull, indicating a robust energetic state under standard conditions.
This material exhibits semiconducting electronic properties, making it a subject of interest for fundamental solid-state physics research. Its structural complexity is highlighted by the significant number of reported configurations across various materials databases, reflecting its intricate atomic arrangement.
Key Properties
Cross-validated computational properties for K5Te3, 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 K5Te3. 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 K5Te3, 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. |
|---|---|---|---|---|---|
| I4/m (No. 87) | tetragonal | 0.16 | 0.0000 | -14.467 | 3.15 |
| I4/mcm (No. 140) | tetragonal | 0.00 | 0.0000 | -1.098 | — |
| I4/mcm (No. 140) | tetragonal | 0.00 | 0.0000 | -1.098 | — |
| — | — | 0.26 | 0.0154 | -0.971 | — |
| Pm (No. 6) | monoclinic | — | — | — | 2.71 |
| I4/m (No. 87) | tetragonal | — | — | — | 3.12 |
| Pm (No. 6) | monoclinic | — | — | — | 2.49 |
| I4/m (No. 87) | tetragonal | — | — | — | 3.10 |
| I4/m (No. 87) | tetragonal | — | — | — | 3.14 |
| I4/m (No. 87) | tetragonal | — | — | — | 3.20 |
| Pm (No. 6) | monoclinic | — | — | — | 3.32 |
| I4/m (No. 87) | tetragonal | — | — | — | 3.07 |
Applications
Where K5Te3 is used.
Frequently Asked Questions
Common questions about K5Te3, answered from cross-validated data.
What is K5Te3?
K5Te3 is a stable, semiconducting binary compound formed from potassium and tellurium that is frequently studied for its structural properties.
What is K5Te3 used for?
What is the band gap of K5Te3?
Is K5Te3 a metal, semiconductor, or insulator?
Is K5Te3 thermodynamically stable?
What is the crystal structure of K5Te3?
What is the density of K5Te3?
How many polymorphs of K5Te3 are known?
What elements does K5Te3 contain?
Where does the data for K5Te3 come from?
How It Compares
As a distinct binary phase, K5Te3 represents a stable stoichiometry within the potassium-tellurium system. While it is currently considered an unclassified material in terms of broader structural families, its established thermodynamic stability distinguishes it as a reliable reference point for exploring alkali metal chalcogenide semiconductors.
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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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