Ca3BiN

Ca3BiN is a stable, semiconducting ternary nitride material composed of calcium, bismuth, and nitrogen.

BiCaN
Crystal structure of Ca3BiN
Ground-state structure · Materials Project
Overview

About Ca3BiN

Ca3BiN is a complex ternary nitride that exists as a thermodynamically stable phase within its chemical system. Its electronic character as a semiconductor makes it an intriguing candidate for specialized solid-state research and materials development.

Because it resides on the convex hull, this compound exhibits robust stability, which is a critical factor for experimental synthesis and long-term performance. Its unique combination of calcium, bismuth, and nitrogen provides a distinct platform for exploring new electronic behaviors in nitride-based materials.

At a glance

Key Properties

Cross-validated computational properties for Ca3BiN, aggregated across 3 databases.

Band Gap

0.37 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

7
3 databases, 1 space group
Uses

Applications

Where Ca3BiN is used.

Solid-state electronic researchSemiconductor materials development
Reference

Frequently Asked Questions

Common questions about Ca3BiN, answered from cross-validated data.

What is Ca3BiN?

Ca3BiN is a stable, semiconducting ternary nitride material composed of calcium, bismuth, and nitrogen.

More questions
What is Ca3BiN used for?
Ca3BiN is used in solid-state electronic research and semiconductor materials development.
What is the band gap of Ca3BiN?
Ca3BiN has a DFT-computed band gap of 0.37 eV across 7 reported structures.
Is Ca3BiN a metal, semiconductor, or insulator?
With a band gap up to 0.37 eV it is a semiconductor.
Is Ca3BiN thermodynamically stable?
Yes — Ca3BiN sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ca3BiN are known?
7 structures of Ca3BiN are reported across 3 databases, spanning 1 distinct space group.
What elements does Ca3BiN contain?
Ca3BiN contains Bi, Ca, and N (3 elements).
Where does the data for Ca3BiN come from?
Ca3BiN data is cross-referenced from latticegraph.
Comparison

How It Compares

As a stable ternary nitride, Ca3BiN represents a specialized material composition that stands apart from more common binary nitrides. It serves as a foundational example of how integrating heavy elements like bismuth into a nitrogen-rich framework can yield stable, semiconducting electronic properties.

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

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