CaV4O8
CaV4O8 is a metastable semiconducting oxide containing calcium and vanadium that is primarily studied for its structural diversity.
About CaV4O8
CaV4O8 is a complex oxide composed of calcium, vanadium, and oxygen. As a semiconducting material, it exhibits electronic properties that distinguish it from simple metallic or insulating oxides, making it a subject of interest for fundamental solid-state chemistry studies.
Because it exists in a metastable state, this compound represents a unique structural configuration that requires specific synthesis conditions to achieve. Its existence across multiple reported structures suggests a rich potential for polymorphism and structural tuning in experimental settings.
Key Properties
Cross-validated computational properties for CaV4O8, 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.
Reported Structures
Lowest-energy structures reported for CaV4O8, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.65 | 0.0881 | -8.605 | 3.92 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0962 | -8.597 | 3.59 |
| Cm (No. 8) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 4.32 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.92 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.12 |
Applications
Where CaV4O8 is used.
Frequently Asked Questions
Common questions about CaV4O8, answered from cross-validated data.
What is CaV4O8?
CaV4O8 is a metastable semiconducting oxide containing calcium and vanadium that is primarily studied for its structural diversity.
What is CaV4O8 used for?
What is the band gap of CaV4O8?
Is CaV4O8 a metal, semiconductor, or insulator?
Is CaV4O8 thermodynamically stable?
What is the crystal structure of CaV4O8?
What is the density of CaV4O8?
How many polymorphs of CaV4O8 are known?
What elements does CaV4O8 contain?
Where does the data for CaV4O8 come from?
How It Compares
As a member of the calcium-vanadium-oxygen system, this compound occupies a distinct niche where structural metastability and semiconducting behavior intersect, serving as a specialized subject for researchers investigating complex oxide phase stability.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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