Ca2VBiO6
Ca2VBiO6 is a thermodynamically stable, insulating quaternary oxide composed of calcium, vanadium, bismuth, and oxygen.
About Ca2VBiO6
Ca2VBiO6 is a complex oxide featuring a stable crystalline arrangement that sits firmly on the thermodynamic convex hull. As a wide-band-gap insulator, it exhibits electronic properties characteristic of materials that resist electrical conduction under standard conditions.
This compound is of significant interest to researchers studying structural diversity in quaternary oxides. With multiple reported structures across various databases, it serves as a valuable subject for investigating phase stability and coordination environments in bismuth-vanadium-based systems.
Key Properties
Cross-validated computational properties for Ca2VBiO6, 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 Ca2VBiO6. 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 Ca2VBiO6, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 3.05 | 0.0000 | -7.414 | 4.74 |
| — | — | 3.00 | 0.0000 | -2.656 | — |
| Cmc21 (No. 36) | orthorhombic | 2.73 | 0.0000 | -2.716 | — |
| Fm-3m (No. 225) | cubic | 0.64 | 0.3855 | -7.029 | 5.10 |
| Cmc21 (No. 36) | orthorhombic | — | — | — | 5.05 |
| Cmc21 (No. 36) | orthorhombic | — | — | — | 4.74 |
| Cmc21 (No. 36) | orthorhombic | — | — | — | 4.85 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Ca2VBiO6.
Applications
Where Ca2VBiO6 is used.
Frequently Asked Questions
Common questions about Ca2VBiO6, answered from cross-validated data.
What is Ca2VBiO6?
Ca2VBiO6 is a thermodynamically stable, insulating quaternary oxide composed of calcium, vanadium, bismuth, and oxygen.
What is Ca2VBiO6 used for?
What is the band gap of Ca2VBiO6?
Is Ca2VBiO6 a metal, semiconductor, or insulator?
Is Ca2VBiO6 thermodynamically stable?
What is the crystal structure of Ca2VBiO6?
What is the density of Ca2VBiO6?
How many polymorphs of Ca2VBiO6 are known?
How is Ca2VBiO6 synthesized?
What elements does Ca2VBiO6 contain?
Where does the data for Ca2VBiO6 come from?
How It Compares
As a thermodynamically stable phase, Ca2VBiO6 represents a robust structural archetype within its chemical family, providing a reliable baseline for studying the interplay between calcium, vanadium, and bismuth in oxide lattices.
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)
- 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)
- 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.
Analyze Ca2VBiO6 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →