Ca2MgN2

Ca2MgN2 is a metastable semiconducting ternary nitride containing calcium, magnesium, and nitrogen.

CaMgN
Crystal structure of Ca2MgN2
Ground-state structure · Materials Project
Overview

About Ca2MgN2

Ca2MgN2 is a ternary nitride compound composed of calcium, magnesium, and nitrogen. As a semiconducting material, it represents a specialized class of nitrides that are currently under investigation for their unique electronic and structural characteristics.

Although it is classified as a metastable phase, the compound has been documented across multiple structural databases, highlighting its significance in solid-state chemistry research. Its synthesis and stability are of particular interest for understanding the bonding environments within complex nitride systems.

At a glance

Key Properties

Cross-validated computational properties for Ca2MgN2, aggregated across 4 databases.

Band Gap

1.33 eV
Range across DFT structures

Energy Above Hull

0.056 eV/atom
Best (lowest) across sources

Stability

Metastable
3 DFT sources

Structures

8
4 databases, 2 space groups
Uses

Applications

Where Ca2MgN2 is used.

Solid-state chemistry researchMaterials science explorationSemiconductor development studies
Reference

Frequently Asked Questions

Common questions about Ca2MgN2, answered from cross-validated data.

What is Ca2MgN2?

Ca2MgN2 is a metastable semiconducting ternary nitride containing calcium, magnesium, and nitrogen.

More questions
What is Ca2MgN2 used for?
Ca2MgN2 is used in solid-state chemistry research, materials science exploration, and semiconductor development studies.
What is the band gap of Ca2MgN2?
Ca2MgN2 has a DFT-computed band gap of 1.33 eV across 8 reported structures.
Is Ca2MgN2 a metal, semiconductor, or insulator?
With a band gap up to 1.33 eV it is a semiconductor.
Is Ca2MgN2 thermodynamically stable?
Ca2MgN2 has a lowest energy above hull of 0.056 eV/atom (metastable).
How many polymorphs of Ca2MgN2 are known?
8 structures of Ca2MgN2 are reported across 4 databases, spanning 2 distinct space groups.
What elements does Ca2MgN2 contain?
Ca2MgN2 contains Ca, Mg, and N (3 elements).
Where does the data for Ca2MgN2 come from?
Ca2MgN2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a ternary nitride, Ca2MgN2 serves as an important case study for the structural diversity found in alkaline earth metal nitrogen systems, where the interplay between calcium and magnesium cations dictates the overall lattice stability.

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

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