Ca2Sb2O5

Ca2Sb2O5 is a semiconducting ternary oxide of calcium and antimony that is primarily studied for its structural characteristics in solid-state research.

CaOSb
Crystal structure of Ca2Sb2O5
Ground-state structure · Materials Project
Overview

About Ca2Sb2O5

Ca2Sb2O5 is a complex oxide composed of calcium, antimony, and oxygen. As a semiconducting material, it represents a specific stoichiometry within the broader landscape of ternary oxides, characterized by its distinct structural arrangements observed across multiple databases. Its electronic properties make it a subject of interest for fundamental studies in solid-state chemistry.

While this compound is identified as being above the thermodynamic hull, suggesting potential challenges in synthesis or long-term stability, its existence in multiple reported structures highlights its relevance in computational materials science. It serves as a model for investigating the interplay between calcium and antimony in oxide frameworks.

At a glance

Key Properties

Cross-validated computational properties for Ca2Sb2O5, aggregated across 3 databases.

Band Gap

1.55 eV
Range across DFT structures

Energy Above Hull

0.156 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

5
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about Ca2Sb2O5, answered from cross-validated data.

What is Ca2Sb2O5?

Ca2Sb2O5 is a semiconducting ternary oxide of calcium and antimony that is primarily studied for its structural characteristics in solid-state research.

More questions
What is the band gap of Ca2Sb2O5?
Ca2Sb2O5 has a DFT-computed band gap of 1.55 eV across 5 reported structures.
Is Ca2Sb2O5 a metal, semiconductor, or insulator?
With a band gap up to 1.55 eV it is a semiconductor.
Is Ca2Sb2O5 thermodynamically stable?
Ca2Sb2O5 has a lowest energy above hull of 0.156 eV/atom (above hull).
How many polymorphs of Ca2Sb2O5 are known?
5 structures of Ca2Sb2O5 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ca2Sb2O5 contain?
Ca2Sb2O5 contains Ca, O, and Sb (3 elements).
Where does the data for Ca2Sb2O5 come from?
Ca2Sb2O5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary oxide, Ca2Sb2O5 occupies a specialized niche in materials research where the structural flexibility of the calcium-antimony-oxygen system is explored to understand phase stability and electronic behavior.

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

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