Ca2V2O7
calcium pyrovanadate · dicalcium pyrovanadate
Calcium pyrovanadate is a stable, semiconducting inorganic oxide known for its structural diversity and potential in electronic and catalytic research.
About calcium pyrovanadate
Calcium pyrovanadate is a thermodynamically stable oxide that occupies a key position on the convex hull, indicating robust structural integrity. As a semiconducting material, it offers a unique electronic profile that makes it a subject of interest for researchers investigating complex oxide systems.
Its structural versatility is highlighted by multiple reported configurations across various databases. This diversity in atomic arrangement allows for tailored physical properties, positioning the compound as a valuable candidate for specialized applications in materials science and solid-state chemistry.
Key Properties
Cross-validated computational properties for calcium pyrovanadate, 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.
Synthesis Routes
Literature-extracted synthesis procedures targeting Ca2V2O7.
Applications
Where calcium pyrovanadate is used.
Frequently Asked Questions
Common questions about calcium pyrovanadate, answered from cross-validated data.
What is Ca2V2O7?
Calcium pyrovanadate is a stable, semiconducting inorganic oxide known for its structural diversity and potential in electronic and catalytic research.
What is Ca2V2O7 used for?
What is the band gap of Ca2V2O7?
Is Ca2V2O7 a metal, semiconductor, or insulator?
Is Ca2V2O7 thermodynamically stable?
How many polymorphs of Ca2V2O7 are known?
How is Ca2V2O7 synthesized?
What elements does Ca2V2O7 contain?
Where does the data for Ca2V2O7 come from?
How It Compares
As a distinct member of the calcium-vanadium-oxygen system, this compound serves as a fundamental reference point for understanding the phase stability and electronic behavior of pyrovanadates. It represents a well-defined structural archetype that provides essential insights into how stoichiometry influences the semiconducting characteristics of mixed-metal oxides.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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