Ba2Ti3O8
Barium trititanate is a complex oxide material known for its dielectric properties. It is primarily researched and utilized in the development of advanced electronic components and ceramic materials.
Overview
Key Properties
Cross-validated computational properties for Ba2Ti3O8, 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.
0.73 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.
0.209 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.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ba2Ti3O8, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 0.73 | 0.2086 | -8.470 | 4.87 |
| No. 0 | unknown | — | — | — | 1.49 |
| Pmm2 (No. 25) | — | — | — | — | — |
Uses
Applications
Where Ba2Ti3O8 is used.
Dielectric ceramicsElectronic component manufacturingMaterials science research
Reference
Frequently Asked Questions
Common questions about Ba2Ti3O8, answered from cross-validated data.
What is Ba2Ti3O8?
Barium trititanate is a complex oxide material known for its dielectric properties. It is primarily researched and utilized in the development of advanced electronic components and ceramic materials.
More questions
What is Ba2Ti3O8 used for?
Ba2Ti3O8 is used in dielectric ceramics, electronic component manufacturing, and materials science research.
What is the band gap of Ba2Ti3O8?
Ba2Ti3O8 has a DFT-computed band gap of 0.73 eV across 3 reported structures.
Is Ba2Ti3O8 a metal, semiconductor, or insulator?
With a band gap up to 0.73 eV it is a semiconductor.
Is Ba2Ti3O8 thermodynamically stable?
Ba2Ti3O8 has a lowest energy above hull of 0.209 eV/atom (above hull).
What is the crystal structure of Ba2Ti3O8?
The lowest-energy reported polymorph of Ba2Ti3O8 is tetragonal symmetry, space group P4/mmm (No. 123).
What is the density of Ba2Ti3O8?
The computed density of the ground-state structure of Ba2Ti3O8 is 4.87 g/cm³.
How many polymorphs of Ba2Ti3O8 are known?
3 structures of Ba2Ti3O8 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Ba2Ti3O8 contain?
Ba2Ti3O8 contains Ba, O, and Ti (3 elements).
Where does the data for Ba2Ti3O8 come from?
Ba2Ti3O8 data is cross-referenced from materials_project, cod, 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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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