Mg3N2
magnesium nitride · trimagnesium dinitride
Magnesium nitride is a stable, semiconducting solid used primarily as a chemical reagent and a precursor in the production of advanced materials.
About magnesium nitride
Magnesium nitride is a thermodynamically stable inorganic compound that exists as a semiconducting solid. Its robust structural identity is supported by extensive experimental data, reflecting a well-characterized material within the broader landscape of metal nitrides.
This compound is valued for its reactivity and utility in niche industrial applications. It serves as an essential precursor in the synthesis of various high-performance materials and specialized ceramic components, leveraging its unique electronic properties to facilitate chemical transformations.
Key Properties
Cross-validated computational properties for magnesium nitride, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Mg3N2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Ia-3 (No. 206) | cubic | 1.95 | 0.0000 | -7.095 | 2.74 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.37 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.81 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.08 |
| Cm (No. 8) | Monoclinic | — | — | — | 1.64 |
| P1 (No. 1) | Triclinic | — | — | — | 2.08 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.02 |
| P1 (No. 1) | Triclinic | — | — | — | 1.90 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.80 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.07 |
| Immm (No. 71) | Orthorhombic | — | — | — | 2.27 |
| C2/m (No. 12) | Monoclinic | — | — | — | 1.76 |
Applications
Where magnesium nitride is used.
Frequently Asked Questions
Common questions about magnesium nitride, answered from cross-validated data.
What is Mg3N2?
Magnesium nitride is a stable, semiconducting solid used primarily as a chemical reagent and a precursor in the production of advanced materials.
What is Mg3N2 used for?
What is the band gap of Mg3N2?
Is Mg3N2 a metal, semiconductor, or insulator?
Is Mg3N2 thermodynamically stable?
What is the crystal structure of Mg3N2?
What is the density of Mg3N2?
How many polymorphs of Mg3N2 are known?
What elements does Mg3N2 contain?
Where does the data for Mg3N2 come from?
How It Compares
As a thermodynamically stable member of the metal nitride family, this compound represents a fundamental building block in inorganic chemistry. It is distinguished by its reliable structural integrity and predictable semiconducting behavior, which makes it a preferred choice for researchers seeking stable precursors for advanced material synthesis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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