K2O13Ti6
K2O13Ti6 is a thermodynamically stable semiconducting perovskite oxide composed of potassium, titanium, and oxygen.
About K2O13Ti6
K2O13Ti6 is a semiconducting oxide that sits firmly on the convex hull, indicating significant thermodynamic stability. As a member of the perovskite oxide family, it represents a complex arrangement of potassium, titanium, and oxygen atoms that contributes to the diversity of this chemical class.
This material is of interest to researchers investigating electronic and structural transitions within oxide lattices. Its stability and semiconducting nature make it a valuable subject for fundamental studies aimed at understanding how stoichiometry influences the physical behavior of perovskite-related frameworks.
Key Properties
Cross-validated computational properties for K2O13Ti6, 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 K2O13Ti6. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for K2O13Ti6, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for K2O13Ti6, 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 | 2.75 | 0.0000 | -8.774 | 3.56 |
| C2/m (No. 12) | monoclinic | 3.21 | — | -7.540 | 3.36 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.56 |
Synthesis Routes
Literature-extracted synthesis procedures targeting K2O13Ti6.
Applications
Where K2O13Ti6 is used.
Frequently Asked Questions
Common questions about K2O13Ti6, answered from cross-validated data.
What is K2O13Ti6?
K2O13Ti6 is a thermodynamically stable semiconducting perovskite oxide composed of potassium, titanium, and oxygen.
What is K2O13Ti6 used for?
What is the band gap of K2O13Ti6?
Is K2O13Ti6 a metal, semiconductor, or insulator?
Is K2O13Ti6 thermodynamically stable?
What is the crystal structure of K2O13Ti6?
What is the density of K2O13Ti6?
How many polymorphs of K2O13Ti6 are known?
How is K2O13Ti6 synthesized?
What elements does K2O13Ti6 contain?
Where does the data for K2O13Ti6 come from?
How It Compares
Within the perovskite oxides class.
Unlike the highly studied ferroelectric BaTiO3 or the magnetic perovskites such as LaMnO3 and BiFeO3, K2O13Ti6 occupies a distinct niche defined by its specific potassium-titanium stoichiometry. While many of its class members are recognized for their prominent magnetic or dielectric responses, this compound serves as a stable, semiconducting reference point that highlights the structural versatility inherent in the broader perovskite oxide group.
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)
- aflow — Data from AFLOW (aflow.org). Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012). (CC-BY-4.0)
- 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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