Ca4O28V12

Ca4O28V12 is a semiconducting calcium vanadate oxide that is considered a viable target for laboratory synthesis due to its favorable thermodynamic stability.

CaOV
Crystal structure of Ca4O28V12
Ground-state structure · Materials Project
Overview

About Ca4O28V12

Ca4O28V12 is a complex oxide composed of calcium, vanadium, and oxygen. As a semiconducting material that sits near the thermodynamic stability hull, it represents a promising candidate for experimental synthesis and characterization within the broader family of vanadium-based oxides.

Its structural diversity is highlighted by its presence in multiple database entries, indicating a rich landscape of possible atomic arrangements. This compound is significant for researchers exploring tunable electronic properties in transition metal oxides where vanadium oxidation states can be carefully modulated.

At a glance

Key Properties

Cross-validated computational properties for Ca4O28V12, aggregated across 3 databases.

Band Gap

2.62 eV
Range across DFT structures

Energy Above Hull

0.014 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

18
3 databases, 1 space group
Uses

Applications

Where Ca4O28V12 is used.

Solid-state electronics researchTransition metal oxide materials scienceCatalysis research
Reference

Frequently Asked Questions

Common questions about Ca4O28V12, answered from cross-validated data.

What is Ca4O28V12?

Ca4O28V12 is a semiconducting calcium vanadate oxide that is considered a viable target for laboratory synthesis due to its favorable thermodynamic stability.

More questions
What is Ca4O28V12 used for?
Ca4O28V12 is used in solid-state electronics research, transition metal oxide materials science, and catalysis research.
What is the band gap of Ca4O28V12?
Ca4O28V12 has a DFT-computed band gap of 2.62 eV across 18 reported structures.
Is Ca4O28V12 a metal, semiconductor, or insulator?
With a band gap up to 2.62 eV it is a semiconductor.
Is Ca4O28V12 thermodynamically stable?
Ca4O28V12 has a lowest energy above hull of 0.014 eV/atom (near hull (likely stable)).
How many polymorphs of Ca4O28V12 are known?
18 structures of Ca4O28V12 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ca4O28V12 contain?
Ca4O28V12 contains Ca, O, and V (3 elements).
Where does the data for Ca4O28V12 come from?
Ca4O28V12 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique member of the calcium vanadate oxide system, this compound serves as a critical reference point for understanding the stability limits of complex ternary oxides. Its near-hull status suggests it occupies a strategic position in the phase space, offering a distinct structural architecture compared to simpler binary or ternary oxides.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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