Mg2CuN2
Mg2CuN2 is a semiconducting ternary nitride compound that is currently a subject of interest in experimental and theoretical materials research.
About Mg2CuN2
Mg2CuN2 is a ternary nitride compound characterized by its semiconducting electronic nature. As a complex nitride, it represents a specialized area of materials science where the interplay between magnesium, copper, and nitrogen creates unique structural possibilities.
While the compound is currently identified as being above the thermodynamic hull, it remains a subject of interest for researchers investigating metastable phases. Its existence across multiple structural databases highlights its significance in the ongoing exploration of nitrogen-based inorganic chemistry.
Key Properties
Cross-validated computational properties for Mg2CuN2, 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 Mg2CuN2, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.26 | 0.1594 | -7.957 | 3.66 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.80 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.66 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.76 |
Applications
Where Mg2CuN2 is used.
Frequently Asked Questions
Common questions about Mg2CuN2, answered from cross-validated data.
What is Mg2CuN2?
Mg2CuN2 is a semiconducting ternary nitride compound that is currently a subject of interest in experimental and theoretical materials research.
What is Mg2CuN2 used for?
What is the band gap of Mg2CuN2?
Is Mg2CuN2 a metal, semiconductor, or insulator?
Is Mg2CuN2 thermodynamically stable?
What is the crystal structure of Mg2CuN2?
What is the density of Mg2CuN2?
How many polymorphs of Mg2CuN2 are known?
What elements does Mg2CuN2 contain?
Where does the data for Mg2CuN2 come from?
How It Compares
As a unique ternary nitride, Mg2CuN2 occupies a specialized niche in materials science. Without direct structural siblings in this specific chemical group, it serves as a distinct case study for understanding how copper and magnesium cations coordinate within a nitrogen lattice to influence semiconducting properties.
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.
Analyze Mg2CuN2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →