NbSbO4
NbSbO4 is a thermodynamically stable semiconducting oxide containing niobium and antimony.
About NbSbO4
NbSbO4 is a complex oxide composed of niobium, antimony, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement that is well-defined within materials databases. Its semiconducting nature makes it an intriguing subject for research into electronic and optoelectronic materials.
The compound is characterized by a high degree of structural diversity, with multiple reported configurations across various databases. This structural flexibility suggests potential for fine-tuning its physical properties for specialized technological applications where stable, semiconducting oxides are required.
Key Properties
Cross-validated computational properties for NbSbO4, 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 NbSbO4. 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 NbSbO4, 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 | 2.55 | 0.0000 | -2.231 | — |
| — | — | 2.48 | 0.0000 | -2.337 | — |
| Pna21 (No. 33) | orthorhombic | 2.43 | 0.0000 | -8.193 | 5.62 |
| Pnna (No. 52) | orthorhombic | 2.47 | 0.0025 | -2.228 | — |
| Pnna (No. 52) | orthorhombic | 2.35 | 0.0030 | -8.191 | 5.52 |
| — | — | 2.35 | 0.0292 | -2.308 | — |
| — | — | 0.00 | 0.1088 | -2.228 | — |
| — | — | 0.00 | 0.4647 | -1.873 | — |
| Pna21 (No. 33) | orthorhombic | — | — | — | 5.73 |
| Pnna (No. 52) | orthorhombic | — | — | — | 5.45 |
| Pnna (No. 52) | orthorhombic | — | — | — | 5.34 |
| Pnna (No. 52) | orthorhombic | — | — | — | 5.64 |
Applications
Where NbSbO4 is used.
Frequently Asked Questions
Common questions about NbSbO4, answered from cross-validated data.
What is NbSbO4?
NbSbO4 is a thermodynamically stable semiconducting oxide containing niobium and antimony.
What is NbSbO4 used for?
What is the band gap of NbSbO4?
Is NbSbO4 a metal, semiconductor, or insulator?
Is NbSbO4 thermodynamically stable?
What is the crystal structure of NbSbO4?
How many polymorphs of NbSbO4 are known?
What elements does NbSbO4 contain?
Where does the data for NbSbO4 come from?
How It Compares
As a thermodynamically stable semiconducting oxide, NbSbO4 serves as a foundational example of complex ternary oxides. It occupies a unique position in materials research, offering a stable framework that distinguishes it from less resilient or metastable compounds within the broader category of mixed-metal oxides.
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)
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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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