Ca2IN

Ca2IN is a thermodynamically stable semiconducting compound containing calcium, iodine, and nitrogen.

CaIN
Crystal structure of Ca2IN
Ground-state structure · Materials Project
Overview

About Ca2IN

Ca2IN is a distinct inorganic compound composed of calcium, iodine, and nitrogen. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement that is well-supported by existing computational databases. Its semiconducting nature makes it an intriguing candidate for electronic and optoelectronic investigations where specific charge transport properties are required. The material is characterized by a stable crystalline framework, evidenced by multiple reported structural variations across scientific datasets. This stability suggests potential for integration into specialized material systems that demand reliable performance under standard conditions. Its unique elemental combination allows for diverse coordination environments, positioning it as a subject of interest for researchers exploring novel semiconductor architectures.

At a glance

Key Properties

Cross-validated computational properties for Ca2IN, aggregated across 4 databases.

Band Gap

2.35 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

4
4 databases, 1 space group
Uses

Applications

Where Ca2IN is used.

Semiconductor researchSolid-state chemistryMaterials science development
Reference

Frequently Asked Questions

Common questions about Ca2IN, answered from cross-validated data.

What is Ca2IN?

Ca2IN is a thermodynamically stable semiconducting compound containing calcium, iodine, and nitrogen.

More questions
What is Ca2IN used for?
Ca2IN is used in semiconductor research, solid-state chemistry, and materials science development.
What is the band gap of Ca2IN?
Ca2IN has a DFT-computed band gap of 2.35 eV across 4 reported structures.
Is Ca2IN a metal, semiconductor, or insulator?
With a band gap up to 2.35 eV it is a semiconductor.
Is Ca2IN thermodynamically stable?
Yes — Ca2IN sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ca2IN are known?
4 structures of Ca2IN are reported across 4 databases, spanning 1 distinct space group.
What elements does Ca2IN contain?
Ca2IN contains Ca, I, and N (3 elements).
Where does the data for Ca2IN come from?
Ca2IN data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique member of its chemical space, Ca2IN stands out for its inherent thermodynamic stability and defined semiconducting behavior. While many complex nitrides and halides exhibit varying degrees of volatility or instability, this compound maintains a consistent structural integrity that distinguishes it within its class of multi-elemental inorganic solids.

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

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