TaSbO4
Tantalum antimony oxide is a crystalline inorganic compound that belongs to the rutile-type structure family. It is primarily studied for its potential utility in photocatalytic processes and as a functional material in electronic applications.
OSbTa
Overview
Key Properties
Cross-validated computational properties for TaSbO4, aggregated across 4 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.
2.45–2.99 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
14
4 databases, 7 space groups
Crystallography
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 | 2.99 | 0.0000 | -8.672 | 7.44 |
| Pnna (No. 52) | orthorhombic | 2.45 | 0.2034 | -8.468 | 5.87 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.8869 | -7.785 | 5.20 |
| Pnna (No. 52) | orthorhombic | 0.00 | 0.9363 | -7.735 | 4.07 |
| Pnna (No. 52) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Pnna (No. 52) | Orthorhombic | — | — | — | 7.36 |
| P2/m (No. 10) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Pnna (No. 52) | Orthorhombic | — | — | — | 7.18 |
| Pnna (No. 52) | Orthorhombic | — | — | — | 7.72 |
Uses
Applications
Where TaSbO4 is used.
Photocatalysis researchElectronic material developmentSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about TaSbO4, answered from cross-validated data.
What is TaSbO4?
Tantalum antimony oxide is a crystalline inorganic compound that belongs to the rutile-type structure family. It is primarily studied for its potential utility in photocatalytic processes and as a functional material in electronic applications.
More questions
What is TaSbO4 used for?
TaSbO4 is used in photocatalysis research, electronic material development, and solid-state chemistry studies.
What is the band gap of TaSbO4?
TaSbO4 has a DFT-computed band gap of 2.45–2.99 eV across 14 reported structures.
Is TaSbO4 a metal, semiconductor, or insulator?
With a band gap up to 2.99 eV it is a semiconductor.
Is TaSbO4 thermodynamically stable?
Yes — TaSbO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of TaSbO4?
The lowest-energy reported polymorph of TaSbO4 is orthorhombic symmetry, space group Pnna (No. 52).
What is the density of TaSbO4?
The computed density of the ground-state structure of TaSbO4 is 7.44 g/cm³.
How many polymorphs of TaSbO4 are known?
14 structures of TaSbO4 are reported across 4 databases, spanning 7 distinct space groups.
What elements does TaSbO4 contain?
TaSbO4 contains O, Sb, and Ta (3 elements).
Where does the data for TaSbO4 come from?
TaSbO4 data is cross-referenced from materials_project, jarvis, mpaloe, cod.
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.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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