Mg7SiN6

Mg7SiN6 is a metastable ternary nitride semiconductor that serves as a specialized subject of study in materials science.

Crystal structure of Mg7SiN6 (orthorhombic, Ibam (No. 72))
Ground-state structure · Materials Project
Overview

About Mg7SiN6

Mg7SiN6 is a complex nitride semiconductor characterized by its metastable nature. As a member of the nitride class, it represents an intriguing area of materials research where structural diversity is highlighted by its presence across multiple databases. Its electronic properties make it a subject of interest for those exploring non-traditional semiconductor architectures.

This material is primarily studied for its potential in specialized electronic applications where its specific coordination environment provides unique advantages. While it remains a less conventional choice compared to more established industrial nitrides, its structural configuration offers a distinct perspective on the behavior of magnesium-silicon-nitrogen systems.

At a glance

Key Properties

Cross-validated computational properties for Mg7SiN6, aggregated across 3 databases.

Band Gap

1.55 eV
Range across DFT structures

Energy Above Hull

0.078 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Mg7SiN6, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Ibam (No. 72)orthorhombic1.550.0782-5.7092.88
Ibam (No. 72)
Ibam (No. 72)Orthorhombic3.00
Ibam (No. 72)Orthorhombic2.88
Ibam (No. 72)Orthorhombic2.94
Uses

Applications

Where Mg7SiN6 is used.

Semiconductor researchMaterials science explorationAdvanced electronic material development
Reference

Frequently Asked Questions

Common questions about Mg7SiN6, answered from cross-validated data.

What is Mg7SiN6?

Mg7SiN6 is a metastable ternary nitride semiconductor that serves as a specialized subject of study in materials science.

More questions
What is Mg7SiN6 used for?
Mg7SiN6 is used in semiconductor research, materials science exploration, and advanced electronic material development.
What is the band gap of Mg7SiN6?
Mg7SiN6 has a DFT-computed band gap of 1.55 eV across 5 reported structures.
Is Mg7SiN6 a metal, semiconductor, or insulator?
With a band gap up to 1.55 eV it is a semiconductor.
Is Mg7SiN6 thermodynamically stable?
Mg7SiN6 has a lowest energy above hull of 0.078 eV/atom (metastable).
What is the crystal structure of Mg7SiN6?
The lowest-energy reported polymorph of Mg7SiN6 is orthorhombic symmetry, space group Ibam (No. 72).
What is the density of Mg7SiN6?
The computed density of the ground-state structure of Mg7SiN6 is 2.88 g/cm³.
How many polymorphs of Mg7SiN6 are known?
5 structures of Mg7SiN6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Mg7SiN6 contain?
Mg7SiN6 contains Mg, N, and Si (3 elements).
Where does the data for Mg7SiN6 come from?
Mg7SiN6 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

Within the nitride semiconductors class.

Unlike the widely utilized and highly stable binary nitrides such as GaN or AlN, Mg7SiN6 exists as a metastable phase. While GaN and InN are foundational to modern optoelectronics due to their robust stability and well-understood band structures, Mg7SiN6 represents a more niche, complex ternary system that requires careful synthesis control compared to the simpler, more common members of the nitride semiconductor class.

Explore

Related Compounds

Other Nitride Semiconductors in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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