Bi4Ca4O8

Bi4Ca4O8 is a thermodynamically stable semiconducting bismuth calcium oxide used in materials science research.

BiCaO
Overview

About Bi4Ca4O8

Bi4Ca4O8 is a complex oxide composed of bismuth, calcium, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within its chemical system, offering a reliable foundation for materials design and synthesis. Its electronic character as a semiconductor makes it a subject of interest for researchers investigating charge transport and optoelectronic properties in bismuth-based ceramics. The compound is characterized by significant structural diversity, with numerous reported configurations that highlight its flexible coordination environment and potential for fine-tuning physical properties through structural modification. This makes it a compelling candidate for fundamental studies in solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for Bi4Ca4O8, aggregated across 2 databases.

Band Gap

0.27–2.61 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

18
2 databases, 12 space groups
Uses

Applications

Where Bi4Ca4O8 is used.

Solid-state chemistry researchSemiconductor materials developmentFundamental structural studies
Reference

Frequently Asked Questions

Common questions about Bi4Ca4O8, answered from cross-validated data.

What is Bi4Ca4O8?

Bi4Ca4O8 is a thermodynamically stable semiconducting bismuth calcium oxide used in materials science research.

More questions
What is Bi4Ca4O8 used for?
Bi4Ca4O8 is used in solid-state chemistry research, semiconductor materials development, and fundamental structural studies.
What is the band gap of Bi4Ca4O8?
Bi4Ca4O8 has a DFT-computed band gap of 0.27–2.61 eV across 18 reported structures.
Is Bi4Ca4O8 a metal, semiconductor, or insulator?
With a band gap up to 2.61 eV it is a semiconductor.
Is Bi4Ca4O8 thermodynamically stable?
Yes — Bi4Ca4O8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Bi4Ca4O8 are known?
18 structures of Bi4Ca4O8 are reported across 2 databases, spanning 12 distinct space groups.
What elements does Bi4Ca4O8 contain?
Bi4Ca4O8 contains Bi, Ca, and O (3 elements).
Where does the data for Bi4Ca4O8 come from?
Bi4Ca4O8 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable oxide, Bi4Ca4O8 serves as a benchmark for stability within its specific chemical system. While it currently lacks direct structural siblings in this context, its position on the convex hull suggests it is a preferred phase that provides a critical reference point for understanding the energetic landscape of bismuth-calcium-oxygen compounds.

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

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