K2Ti4O9
K2Ti4O9 is an insulating perovskite oxide that exists in a thermodynamically stable state suitable for experimental synthesis.
About K2Ti4O9
K2Ti4O9 is a complex oxide within the perovskite-related family, characterized by its wide-gap insulating electronic profile. Its structural arrangement reflects a delicate balance of potassium and titanium coordination, positioning it as a significant candidate for materials research.
As a near-hull material, it is considered thermodynamically accessible for synthesis. This stability makes it a subject of interest for researchers investigating new oxide frameworks that can be tailored for specific electronic or electrochemical functions.
Key Properties
Cross-validated computational properties for K2Ti4O9, aggregated across 2 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 K2Ti4O9. 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 K2Ti4O9, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 3.49 | 0.0010 | -8.485 | 3.43 |
| — | — | 3.02 | 0.0016 | -3.039 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 3.39 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.32 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.48 |
Synthesis Routes
Literature-extracted synthesis procedures targeting K2Ti4O9.
Applications
Where K2Ti4O9 is used.
Frequently Asked Questions
Common questions about K2Ti4O9, answered from cross-validated data.
What is K2Ti4O9?
K2Ti4O9 is an insulating perovskite oxide that exists in a thermodynamically stable state suitable for experimental synthesis.
What is K2Ti4O9 used for?
What is the band gap of K2Ti4O9?
Is K2Ti4O9 a metal, semiconductor, or insulator?
Is K2Ti4O9 thermodynamically stable?
What is the crystal structure of K2Ti4O9?
What is the density of K2Ti4O9?
How many polymorphs of K2Ti4O9 are known?
How is K2Ti4O9 synthesized?
What elements does K2Ti4O9 contain?
Where does the data for K2Ti4O9 come from?
How It Compares
Within the perovskite oxides class.
Unlike the highly conductive or magnetic members of the perovskite class such as LaNiO3 or LaMnO3, K2Ti4O9 functions primarily as a wide-gap insulator. While many of its siblings like BaTiO3 are celebrated for their ferroelectric properties, this compound offers a distinct structural chemistry that differentiates it from the more commonly studied transition metal perovskites.
Related Compounds
Other Perovskite Oxides in the database.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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