BaTi4O9
BaTi4O9 is a semiconducting perovskite oxide that exhibits near-hull thermodynamic stability and serves as a candidate for advanced electronic materials research.
About BaTi4O9
BaTi4O9 is a semiconducting member of the perovskite oxide family. Its structural arrangement is characterized by a high degree of thermodynamic stability, placing it near the convex hull and indicating that it is a viable candidate for experimental synthesis and characterization.
This material is of significant interest in materials science due to its electronic properties and the versatility of the barium-titanium-oxygen system. It serves as a valuable subject for researchers investigating the relationship between crystal structure and functional performance in complex oxides.
Key Properties
Cross-validated computational properties for BaTi4O9, 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.
Reported Structures
Lowest-energy structures reported for BaTi4O9, 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. |
|---|---|---|---|---|---|
| Pmmn (No. 59) | orthorhombic | 2.70 | 0.0101 | -9.087 | 4.47 |
| Pmmn (No. 59) | — | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting BaTi4O9.
Applications
Where BaTi4O9 is used.
Frequently Asked Questions
Common questions about BaTi4O9, answered from cross-validated data.
What is BaTi4O9?
BaTi4O9 is a semiconducting perovskite oxide that exhibits near-hull thermodynamic stability and serves as a candidate for advanced electronic materials research.
What is BaTi4O9 used for?
What is the band gap of BaTi4O9?
Is BaTi4O9 a metal, semiconductor, or insulator?
Is BaTi4O9 thermodynamically stable?
What is the crystal structure of BaTi4O9?
What is the density of BaTi4O9?
How many polymorphs of BaTi4O9 are known?
How is BaTi4O9 synthesized?
What elements does BaTi4O9 contain?
Where does the data for BaTi4O9 come from?
How It Compares
Within the perovskite oxides class.
While BaTi4O9 shares the structural foundations of the perovskite oxide class, it differs from well-known functional materials like BaTiO3 in its specific stoichiometry and electronic behavior. Unlike the highly studied ferroelectric BaTiO3 or the magnetic perovskites such as LaFeO3 and LaMnO3, BaTi4O9 occupies a distinct niche in the compositional space, offering a unique electronic profile for specialized technological applications.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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