VBiO4
VBiO4 is a stable, wide-band-gap insulating oxide composed of bismuth, vanadium, and oxygen.
About VBiO4
VBiO4 is a complex oxide composed of bismuth, vanadium, and oxygen. As a thermodynamically stable material located on the convex hull, it exhibits robust structural integrity, making it a significant subject for researchers investigating stable ternary oxide systems. Its electronic nature as a wide-band-gap insulator suggests potential utility in applications requiring dielectric or optical stability.
With numerous reported structures across major databases, this compound is a well-documented entity in the field of inorganic chemistry. Its stability and distinct electronic profile position it as a foundational material for studying the interplay between heavy metal cations and transition metal oxides in solid-state synthesis.
Key Properties
Cross-validated computational properties for VBiO4, 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 VBiO4. 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 VBiO4, 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. |
|---|---|---|---|---|---|
| — | — | 2.72 | 0.0000 | -2.072 | — |
| I41/a (No. 88) | tetragonal | 2.26 | 0.0000 | -7.615 | 7.07 |
| I41/a (No. 88) | tetragonal | 2.13 | 0.0000 | -2.141 | — |
| I41/amd (No. 141) | tetragonal | 2.58 | 0.0031 | -7.612 | 6.27 |
| I41/a (No. 88) | tetragonal | 2.18 | 0.0075 | -2.133 | — |
| I41/a (No. 88) | tetragonal | 2.11 | 0.0075 | -2.133 | — |
| I41/amd (No. 141) | tetragonal | 2.73 | 0.0145 | -2.126 | — |
| Pbcn (No. 60) | orthorhombic | 2.34 | 0.0175 | -2.123 | — |
| — | — | 2.27 | 0.0192 | -2.053 | — |
| C2/c (No. 15) | monoclinic | 2.25 | 0.0194 | -7.596 | 6.80 |
| — | — | 2.28 | 0.0195 | -2.052 | — |
| — | — | 2.46 | 0.0213 | -2.051 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting VBiO4.
Applications
Where VBiO4 is used.
Frequently Asked Questions
Common questions about VBiO4, answered from cross-validated data.
What is VBiO4?
VBiO4 is a stable, wide-band-gap insulating oxide composed of bismuth, vanadium, and oxygen.
What is VBiO4 used for?
What is the band gap of VBiO4?
Is VBiO4 a metal, semiconductor, or insulator?
Is VBiO4 thermodynamically stable?
What is the crystal structure of VBiO4?
How many polymorphs of VBiO4 are known?
How is VBiO4 synthesized?
What elements does VBiO4 contain?
Where does the data for VBiO4 come from?
How It Compares
As a standalone entry in this specific classification, VBiO4 serves as a benchmark for understanding the structural diversity of bismuth-vanadate-based oxides. Its position as a thermodynamically stable phase provides a reliable reference point for exploring the broader landscape of complex metal oxides.
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.
Analyze VBiO4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →