Ca2Bi2O5

Ca2Bi2O5 is a semiconducting bismuth-calcium oxide that is theoretically stable enough to be synthesized for research purposes.

BiCaO
Crystal structure of Ca2Bi2O5
Ground-state structure · Materials Project
Overview

About Ca2Bi2O5

Ca2Bi2O5 is a semiconducting oxide composed of calcium, bismuth, and oxygen. Its position near the thermodynamic stability hull suggests that it is a viable target for experimental synthesis and structural characterization.

This material is of interest to researchers exploring complex bismuth-based oxides. Given its electronic character, it may offer unique properties suitable for specialized electronic or optoelectronic applications where semiconducting behavior is required.

At a glance

Key Properties

Cross-validated computational properties for Ca2Bi2O5, aggregated across 3 databases.

Band Gap

2.10–2.52 eV
Range across DFT structures

Energy Above Hull

0.007 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

6
3 databases, 2 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Ca2Bi2O5.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where Ca2Bi2O5 is used.

Semiconductor researchOxide materials developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Ca2Bi2O5, answered from cross-validated data.

What is Ca2Bi2O5?

Ca2Bi2O5 is a semiconducting bismuth-calcium oxide that is theoretically stable enough to be synthesized for research purposes.

More questions
What is Ca2Bi2O5 used for?
Ca2Bi2O5 is used in semiconductor research, oxide materials development, and solid-state chemistry studies.
What is the band gap of Ca2Bi2O5?
Ca2Bi2O5 has a DFT-computed band gap of 2.10–2.52 eV across 6 reported structures.
Is Ca2Bi2O5 a metal, semiconductor, or insulator?
With a band gap up to 2.52 eV it is a semiconductor.
Is Ca2Bi2O5 thermodynamically stable?
Ca2Bi2O5 has a lowest energy above hull of 0.007 eV/atom (near hull (likely stable)).
How many polymorphs of Ca2Bi2O5 are known?
6 structures of Ca2Bi2O5 are reported across 3 databases, spanning 2 distinct space groups.
How is Ca2Bi2O5 synthesized?
Literature-reported routes for Ca2Bi2O5 include solid state.
What elements does Ca2Bi2O5 contain?
Ca2Bi2O5 contains Bi, Ca, and O (3 elements).
Where does the data for Ca2Bi2O5 come from?
Ca2Bi2O5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a member of the bismuth-calcium-oxygen system, this compound represents a distinct structural arrangement within its chemical family. It serves as a noteworthy example of how specific stoichiometry can lead to stable, semiconducting phases that warrant further investigation compared to more common binary oxides.

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

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