K4TiO4
Potassium orthotitanate is an inorganic compound consisting of potassium, titanium, and oxygen. It is primarily utilized as a precursor in the synthesis of advanced ceramic materials and specialized titanate-based compounds.
Overview
Key Properties
Cross-validated computational properties for K4TiO4, 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.
3.15–3.35 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
10
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for K4TiO4, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 3.15 | 0.0000 | -5.957 | 2.61 |
| P21/c (No. 14) | monoclinic | 3.35 | 0.0079 | -5.949 | 2.59 |
| Cmcm (No. 63) | orthorhombic | 3.17 | 0.0827 | -5.874 | 2.51 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.52 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.60 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.57 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 2.51 |
| Cmcm (No. 63) | — | — | — | — | — |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 2.61 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 2.57 |
Uses
Applications
Where K4TiO4 is used.
Ceramic synthesisMaterials science researchChemical precursor
Reference
Frequently Asked Questions
Common questions about K4TiO4, answered from cross-validated data.
What is K4TiO4?
Potassium orthotitanate is an inorganic compound consisting of potassium, titanium, and oxygen. It is primarily utilized as a precursor in the synthesis of advanced ceramic materials and specialized titanate-based compounds.
More questions
What is K4TiO4 used for?
K4TiO4 is used in ceramic synthesis, materials science research, and chemical precursor.
What is the band gap of K4TiO4?
K4TiO4 has a DFT-computed band gap of 3.15–3.35 eV across 10 reported structures.
Is K4TiO4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.35 eV it is an insulator / wide-band-gap material.
Is K4TiO4 thermodynamically stable?
Yes — K4TiO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K4TiO4?
The lowest-energy reported polymorph of K4TiO4 is triclinic symmetry, space group P-1 (No. 2).
What is the density of K4TiO4?
The computed density of the ground-state structure of K4TiO4 is 2.61 g/cm³.
How many polymorphs of K4TiO4 are known?
10 structures of K4TiO4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does K4TiO4 contain?
K4TiO4 contains K, O, and Ti (3 elements).
Where does the data for K4TiO4 come from?
K4TiO4 data is cross-referenced from materials_project, mpaloe, jarvis.
Explore
Related Compounds
Other Perovskite Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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