VBO4
VBO4 is a stable, semiconducting vanadium borate compound characterized by its structural versatility and potential for electronic applications.
About VBO4
VBO4 is a semiconducting compound composed of vanadium, boron, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of these elements that is of significant interest for fundamental materials research. Its electronic character suggests potential for specialized applications in semiconductor technology where specific band structures are required. The material is characterized by a notable structural diversity, with multiple reported configurations across various databases, highlighting its complex and flexible coordination environment. This structural richness makes it a compelling subject for researchers investigating the interplay between transition metals and borate frameworks.
Key Properties
Cross-validated computational properties for VBO4, 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 VBO4. 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 VBO4, 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. |
|---|---|---|---|---|---|
| I-4 (No. 82) | tetragonal | 2.92 | 0.0000 | -8.441 | 2.47 |
| I-4 (No. 82) | tetragonal | 2.78 | 0.0220 | -2.437 | — |
| I-4 (No. 82) | tetragonal | 2.77 | 0.0251 | -2.434 | — |
| I-4 (No. 82) | tetragonal | 2.75 | 0.0325 | -2.426 | — |
| — | — | 3.18 | 0.0413 | -2.372 | — |
| P21/c (No. 14) | monoclinic | 2.03 | 0.0682 | -2.391 | — |
| P-1 (No. 2) | triclinic | 2.63 | 0.0682 | -8.373 | 2.86 |
| P21/c (No. 14) | monoclinic | 2.21 | 0.0887 | -8.352 | 3.07 |
| — | — | 1.36 | 0.1589 | -2.254 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 3.14 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.07 |
| I-4 (No. 82) | tetragonal | — | — | — | 2.45 |
Applications
Where VBO4 is used.
Frequently Asked Questions
Common questions about VBO4, answered from cross-validated data.
What is VBO4?
VBO4 is a stable, semiconducting vanadium borate compound characterized by its structural versatility and potential for electronic applications.
What is VBO4 used for?
What is the band gap of VBO4?
Is VBO4 a metal, semiconductor, or insulator?
Is VBO4 thermodynamically stable?
What is the crystal structure of VBO4?
What is the density of VBO4?
How many polymorphs of VBO4 are known?
What elements does VBO4 contain?
Where does the data for VBO4 come from?
How It Compares
As a distinct semiconducting borate, VBO4 occupies a unique position in materials science research. While many borates are known for their insulating properties, the inclusion of vanadium provides the electronic flexibility necessary for semiconducting behavior, setting it apart from more traditional, purely dielectric borate frameworks.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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