CaBiB

CaBiB is a semimetallic ternary compound of calcium, bismuth, and boron that exists in a metastable state.

BBiCa
Crystal structure of CaBiB
Ground-state structure · Materials Project
Overview

About CaBiB

CaBiB is a ternary inorganic compound composed of calcium, bismuth, and boron. Its electronic character is defined as near-zero-gap, placing it in the semimetallic regime, which makes it an intriguing subject for fundamental studies in condensed matter physics.

Due to its position above the thermodynamic hull, this material is considered likely unstable under standard conditions. Despite this, it remains a notable subject of interest within structural databases, where multiple distinct configurations have been documented for further investigation.

At a glance

Key Properties

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

Band Gap

0.08 eV
Range across DFT structures

Energy Above Hull

1.536 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

5
3 databases, 2 space groups
Reference

Frequently Asked Questions

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

What is CaBiB?

CaBiB is a semimetallic ternary compound of calcium, bismuth, and boron that exists in a metastable state.

More questions
What is the band gap of CaBiB?
CaBiB has a DFT-computed band gap of 0.08 eV across 5 reported structures.
Is CaBiB a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is CaBiB thermodynamically stable?
CaBiB has a lowest energy above hull of 1.536 eV/atom (above hull).
How many polymorphs of CaBiB are known?
5 structures of CaBiB are reported across 3 databases, spanning 2 distinct space groups.
What elements does CaBiB contain?
CaBiB contains B, Bi, and Ca (3 elements).
Where does the data for CaBiB come from?
CaBiB data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, CaBiB occupies a specialized niche in materials science. Without direct structural siblings in its immediate class, it serves as a distinct case study for understanding the complex interplay between heavy elements like bismuth and lighter metalloids like boron in unstable crystalline frameworks.

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

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