K2Ti2O5
K2Ti2O5 is a thermodynamically stable, wide-band-gap insulating oxide belonging to the perovskite family.
About K2Ti2O5
K2Ti2O5 is a structurally robust perovskite oxide that maintains thermodynamic stability on the convex hull. As a wide-band-gap insulator, it possesses electronic characteristics that distinguish it from the more conductive or magnetic members of the perovskite family, making it an intriguing candidate for specialized dielectric applications.
This compound is valued for its structural integrity, supported by multiple documented crystal structures across scientific databases. Its role as a stable oxide positions it as a foundational material for exploring chemical substitutions and structural variations within the broader perovskite framework.
Key Properties
Cross-validated computational properties for K2Ti2O5, 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 K2Ti2O5. 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 K2Ti2O5, 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 | 3.20 | 0.0000 | -2.891 | — |
| C2/m (No. 12) | monoclinic | 3.20 | 0.0000 | -7.813 | 3.00 |
| — | — | 3.12 | 0.0000 | -2.859 | — |
| — | — | 1.38 | 0.1303 | -2.729 | — |
| — | — | 0.00 | 1.3827 | -1.476 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 3.02 |
| C2/m (No. 12) | monoclinic | — | — | — | 2.96 |
| C2/m (No. 12) | monoclinic | — | — | — | 2.90 |
Synthesis Routes
Literature-extracted synthesis procedures targeting K2Ti2O5.
Applications
Where K2Ti2O5 is used.
Frequently Asked Questions
Common questions about K2Ti2O5, answered from cross-validated data.
What is K2Ti2O5?
K2Ti2O5 is a thermodynamically stable, wide-band-gap insulating oxide belonging to the perovskite family.
What is K2Ti2O5 used for?
What is the band gap of K2Ti2O5?
Is K2Ti2O5 a metal, semiconductor, or insulator?
Is K2Ti2O5 thermodynamically stable?
What is the crystal structure of K2Ti2O5?
How many polymorphs of K2Ti2O5 are known?
How is K2Ti2O5 synthesized?
What elements does K2Ti2O5 contain?
Where does the data for K2Ti2O5 come from?
How It Compares
Within the perovskite oxides class.
Unlike the highly studied magnetic and metallic perovskites such as LaNiO3 and LaMnO3, K2Ti2O5 functions primarily as a stable insulator. While materials like BaTiO3 are widely utilized for their ferroelectric properties, K2Ti2O5 offers a distinct chemical environment that complements the diverse functionality found across the perovskite class.
Related Compounds
Other Perovskite Oxides in the database.
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)
- 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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