TaBiO4
TaBiO4 is a thermodynamically stable semiconducting perovskite oxide used in materials science research.
About TaBiO4
TaBiO4 is a stable member of the perovskite oxide family, characterized by its semiconducting electronic nature. Its position on the convex hull suggests a robust structural integrity that makes it a compelling subject for materials research and development in oxide electronics. The compound benefits from a rich set of reported structural data, providing a solid foundation for understanding its behavior in various solid-state environments. Its unique combination of bismuth and tantalum within an oxide framework positions it as a specialized candidate for functional material design.
Key Properties
Cross-validated computational properties for TaBiO4, 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 TaBiO4, 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. |
|---|---|---|---|---|---|
| Pnna (No. 52) | orthorhombic | 2.98 | 0.0000 | -8.630 | 9.07 |
| P-1 (No. 2) | triclinic | 2.90 | 0.0032 | -8.627 | 9.28 |
| Pnna (No. 52) | Orthorhombic | — | — | — | 8.75 |
| Pnna (No. 52) | Orthorhombic | — | — | — | 9.37 |
| Pnna (No. 52) | Orthorhombic | — | — | — | 8.96 |
| P-1 (No. 2) | Triclinic | — | — | — | 8.99 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.61 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.21 |
| Pnna (No. 52) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
Applications
Where TaBiO4 is used.
Frequently Asked Questions
Common questions about TaBiO4, answered from cross-validated data.
What is TaBiO4?
TaBiO4 is a thermodynamically stable semiconducting perovskite oxide used in materials science research.
What is TaBiO4 used for?
What is the band gap of TaBiO4?
Is TaBiO4 a metal, semiconductor, or insulator?
Is TaBiO4 thermodynamically stable?
What is the crystal structure of TaBiO4?
What is the density of TaBiO4?
How many polymorphs of TaBiO4 are known?
What elements does TaBiO4 contain?
Where does the data for TaBiO4 come from?
How It Compares
Within the perovskite oxides class.
While classic perovskites like BaTiO3 are widely utilized for their ferroelectric and dielectric properties, TaBiO4 distinguishes itself as a stable semiconducting alternative. Unlike the transition-metal-heavy systems such as LaNiO3 or LaMnO3, which are often investigated for their magnetic and metallic transitions, TaBiO4 offers a different electronic landscape that complements the insulating nature of materials like LaAlO3.
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).
Analyze TaBiO4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →