Ti2Bi2O7
Ti2Bi2O7 is a semiconducting perovskite oxide that is theoretically stable enough to be a viable target for laboratory synthesis.
About Ti2Bi2O7
Ti2Bi2O7 is a complex oxide categorized within the perovskite family. Its electronic character as a semiconductor makes it a subject of interest for researchers investigating functional materials with tunable charge transport properties.
Because it sits near the thermodynamic hull, this compound is considered a promising candidate for experimental synthesis. Its structural versatility, supported by multiple reported configurations, suggests potential utility in developing next-generation electronic and optoelectronic devices.
Key Properties
Cross-validated computational properties for Ti2Bi2O7, 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.
Reported Structures
Lowest-energy structures reported for Ti2Bi2O7, 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. |
|---|---|---|---|---|---|
| Pna21 (No. 33) | orthorhombic | 2.52 | 0.0133 | -7.960 | 7.32 |
| Fd-3m (No. 227) | cubic | 2.67 | 0.0466 | -7.927 | 7.36 |
| Fd-3m (No. 227) | — | — | — | — | — |
| Fd-3m (No. 227) | Cubic | — | — | — | 7.36 |
| Fd-3m (No. 227) | Cubic | — | — | — | 7.55 |
| Fd-3m (No. 227) | Cubic | — | — | — | 7.80 |
Applications
Where Ti2Bi2O7 is used.
Frequently Asked Questions
Common questions about Ti2Bi2O7, answered from cross-validated data.
What is Ti2Bi2O7?
Ti2Bi2O7 is a semiconducting perovskite oxide that is theoretically stable enough to be a viable target for laboratory synthesis.
What is Ti2Bi2O7 used for?
What is the band gap of Ti2Bi2O7?
Is Ti2Bi2O7 a metal, semiconductor, or insulator?
Is Ti2Bi2O7 thermodynamically stable?
What is the crystal structure of Ti2Bi2O7?
What is the density of Ti2Bi2O7?
How many polymorphs of Ti2Bi2O7 are known?
What elements does Ti2Bi2O7 contain?
Where does the data for Ti2Bi2O7 come from?
How It Compares
Within the perovskite oxides class.
Unlike the highly stable and widely utilized BaTiO3, which serves as the prototypical ferroelectric perovskite, Ti2Bi2O7 occupies a more specialized niche within the class. While materials like LaMnO3 or LaFeO3 are frequently studied for their magnetic and catalytic properties, Ti2Bi2O7 is distinguished by its unique bismuth-titanium framework, positioning it as an intriguing alternative for applications requiring specific semiconducting behavior rather than the traditional magnetic or insulating characteristics seen in its lanthanum-based siblings.
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).
- mpaloe — Data from mpaloe.
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