VSbO4
VSbO4 is a thermodynamically stable semiconducting oxide containing vanadium and antimony.
About VSbO4
VSbO4 is a complex oxide composed of vanadium, antimony, and oxygen. As a thermodynamically stable material situated on the convex hull, it represents a robust phase that maintains structural integrity under standard conditions.
This compound exhibits semiconducting electronic behavior, making it an intriguing candidate for electronic and catalytic research. Its existence across multiple reported structures highlights its versatility and the significant interest it has garnered within the materials science community.
Key Properties
Cross-validated computational properties for VSbO4, 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 VSbO4. 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 VSbO4, 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. |
|---|---|---|---|---|---|
| — | — | 0.80 | 0.0000 | -2.161 | — |
| I41md (No. 109) | tetragonal | 0.52 | 0.0000 | -7.736 | 5.94 |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0201 | -7.716 | 5.70 |
| I41md (No. 109) | tetragonal | 0.00 | 0.0662 | -1.964 | — |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0991 | -1.931 | — |
| — | — | 2.14 | 0.1671 | -1.994 | — |
| — | — | 1.56 | 0.1878 | -1.973 | — |
| — | — | 1.19 | 0.2133 | -1.948 | — |
| Cmmm (No. 65) | orthorhombic | 0.05 | 3.5873 | -4.149 | 0.05 |
| P42/mnm (No. 136) | tetragonal | — | — | — | 6.12 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 6.23 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 5.93 |
Synthesis Routes
Literature-extracted synthesis procedures targeting VSbO4.
Applications
Where VSbO4 is used.
Frequently Asked Questions
Common questions about VSbO4, answered from cross-validated data.
What is VSbO4?
VSbO4 is a thermodynamically stable semiconducting oxide containing vanadium and antimony.
What is VSbO4 used for?
What is the band gap of VSbO4?
Is VSbO4 a metal, semiconductor, or insulator?
Is VSbO4 thermodynamically stable?
What is the crystal structure of VSbO4?
What is the density of VSbO4?
How many polymorphs of VSbO4 are known?
How is VSbO4 synthesized?
What elements does VSbO4 contain?
Where does the data for VSbO4 come from?
How It Compares
As a distinct oxide phase, VSbO4 serves as a foundational example of vanadium-antimony-based materials. While it functions as a unique structural entity, it provides a critical benchmark for understanding the stability and electronic transitions within mixed-metal oxide systems.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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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