VBiO3
VBiO3 is a semiconducting bismuth-vanadium oxide that is theoretically stable enough to be a viable target for laboratory synthesis.
About VBiO3
VBiO3 is a semiconducting ternary oxide composed of bismuth, vanadium, and oxygen. As a material situated near the thermodynamic hull, it is considered a promising candidate for experimental synthesis and structural characterization.
Its electronic properties make it an intriguing subject for researchers investigating complex oxides. With multiple reported structures found across various databases, it represents a notable point of interest for those studying the intersection of transition metal oxides and bismuth-based compounds.
Key Properties
Cross-validated computational properties for VBiO3, 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 VBiO3. 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 VBiO3, 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. |
|---|---|---|---|---|---|
| — | — | 0.89 | 0.0070 | -2.045 | — |
| Pnma (No. 62) | orthorhombic | 1.24 | 0.0104 | -7.641 | 8.56 |
| — | — | 1.11 | 0.0121 | -2.040 | — |
| — | — | 0.86 | 0.0498 | -2.002 | — |
| — | — | 1.77 | 0.0505 | -2.002 | — |
| — | — | 0.59 | 0.0642 | -1.988 | — |
| — | — | 0.00 | 0.0840 | -1.968 | — |
| — | — | 0.00 | 0.1457 | -1.907 | — |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.1474 | -1.905 | — |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.1475 | -1.905 | — |
| — | — | 0.00 | 0.1786 | -1.874 | — |
| — | — | 2.94 | 0.2116 | -1.841 | — |
Applications
Where VBiO3 is used.
Frequently Asked Questions
Common questions about VBiO3, answered from cross-validated data.
What is VBiO3?
VBiO3 is a semiconducting bismuth-vanadium oxide that is theoretically stable enough to be a viable target for laboratory synthesis.
What is VBiO3 used for?
What is the band gap of VBiO3?
Is VBiO3 a metal, semiconductor, or insulator?
Is VBiO3 thermodynamically stable?
What is the crystal structure of VBiO3?
What is the density of VBiO3?
How many polymorphs of VBiO3 are known?
What elements does VBiO3 contain?
Where does the data for VBiO3 come from?
How It Compares
As a unique bismuth-vanadium oxide, VBiO3 serves as a distinct entry point for exploring the chemical space of ternary oxides, offering a specific electronic profile that differentiates it from more common binary or simple perovskite-structured materials.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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