TaSbO4
TaSbO4 is a thermodynamically stable semiconducting oxide known for its diverse structural configurations.
About TaSbO4
TaSbO4 is a semiconducting oxide that occupies a stable position on the thermodynamic convex hull. Its structural versatility is evidenced by the numerous distinct configurations documented across multiple databases, highlighting its significance in solid-state chemistry. As a stable compound, it serves as a robust candidate for research into functional materials. Its electronic characteristics make it an intriguing subject for investigating charge transport and potential utility in specialized electronic devices.
Key Properties
Cross-validated computational properties for TaSbO4, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of TaSbO4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for TaSbO4, 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 | 3.04 | 0.0000 | -2.435 | — |
| Pnna (No. 52) | orthorhombic | 2.99 | 0.0000 | -8.672 | 7.44 |
| — | — | 0.00 | 0.0878 | -2.404 | — |
| Cm (No. 8) | monoclinic | 2.57 | 0.0930 | -2.342 | — |
| I-4m2 (No. 119) | tetragonal | 0.68 | 0.1944 | -2.240 | — |
| — | — | 1.93 | 0.1986 | -2.293 | — |
| Pnna (No. 52) | orthorhombic | 2.36 | 0.2034 | -8.468 | 5.87 |
| Cmmm (No. 65) | orthorhombic | 0.97 | 0.2105 | -2.224 | — |
| — | — | 1.84 | 0.2198 | -2.272 | — |
| Pnna (No. 52) | orthorhombic | 2.29 | 0.2741 | -2.161 | — |
| P2/m (No. 10) | monoclinic | 1.37 | 0.3543 | -2.080 | — |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.8869 | -7.785 | 5.20 |
Synthesis Routes
Literature-extracted synthesis procedures targeting TaSbO4.
Applications
Where TaSbO4 is used.
Frequently Asked Questions
Common questions about TaSbO4, answered from cross-validated data.
What is TaSbO4?
TaSbO4 is a thermodynamically stable semiconducting oxide known for its diverse structural configurations.
What is TaSbO4 used for?
What is the band gap of TaSbO4?
Is TaSbO4 a metal, semiconductor, or insulator?
Is TaSbO4 thermodynamically stable?
What is the crystal structure of TaSbO4?
What is the density of TaSbO4?
How many polymorphs of TaSbO4 are known?
How is TaSbO4 synthesized?
What elements does TaSbO4 contain?
Where does the data for TaSbO4 come from?
How It Compares
As a standalone compound in this context, TaSbO4 represents a stable structural archetype within the broader landscape of complex oxide semiconductors. Its presence on the convex hull suggests a high degree of chemical stability, positioning it as a reliable reference point for future investigations into similar ternary oxide systems.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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