Ca5MgN4

Ca5MgN4 is a semiconducting ternary nitride compound that is currently a subject of fundamental materials research.

CaMgN
Crystal structure of Ca5MgN4
Ground-state structure · Materials Project
Overview

About Ca5MgN4

Ca5MgN4 is a complex nitride material composed of calcium, magnesium, and nitrogen. It exhibits semiconducting electronic properties, positioning it within a class of materials often investigated for specialized optoelectronic or electronic applications.

While the compound has been identified across multiple structural databases, it is characterized as being thermodynamically situated above the hull. This suggests that the material may be metastable, requiring specific synthesis conditions to stabilize its crystalline framework.

At a glance

Key Properties

Cross-validated computational properties for Ca5MgN4, aggregated across 3 databases.

Band Gap

1.04 eV
Range across DFT structures

Energy Above Hull

0.105 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Ca5MgN4 is used.

Materials science researchSemiconductor development studies
Reference

Frequently Asked Questions

Common questions about Ca5MgN4, answered from cross-validated data.

What is Ca5MgN4?

Ca5MgN4 is a semiconducting ternary nitride compound that is currently a subject of fundamental materials research.

More questions
What is Ca5MgN4 used for?
Ca5MgN4 is used in materials science research and semiconductor development studies.
What is the band gap of Ca5MgN4?
Ca5MgN4 has a DFT-computed band gap of 1.04 eV across 5 reported structures.
Is Ca5MgN4 a metal, semiconductor, or insulator?
With a band gap up to 1.04 eV it is a semiconductor.
Is Ca5MgN4 thermodynamically stable?
Ca5MgN4 has a lowest energy above hull of 0.105 eV/atom (above hull).
How many polymorphs of Ca5MgN4 are known?
5 structures of Ca5MgN4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ca5MgN4 contain?
Ca5MgN4 contains Ca, Mg, and N (3 elements).
Where does the data for Ca5MgN4 come from?
Ca5MgN4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique nitride phase, Ca5MgN4 represents a specialized composition within the broader landscape of alkaline earth metal nitrides. Unlike more common binary nitrides, this ternary system offers a distinct structural arrangement that serves as a focal point for researchers exploring complex nitrogen-based semiconductors.

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

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