Mg2SnN2
Mg2SnN2 is a ternary magnesium tin nitride compound that exhibits semimetallic electronic properties and is currently identified as a metastable phase.
About Mg2SnN2
Mg2SnN2 is a ternary nitride compound composed of magnesium, tin, and nitrogen. Given its electronic character as a near-zero-gap material, it sits at the threshold between semiconducting and metallic behavior, making it an intriguing subject for fundamental electronic structure studies.
Because it exists above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. Its presence across multiple structural databases highlights its role as a theoretical candidate in the exploration of complex nitride phases.
Key Properties
Cross-validated computational properties for Mg2SnN2, 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 Mg2SnN2, 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 (No. 5) | monoclinic | 0.06 | 0.1893 | -5.249 | 4.66 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.66 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.90 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.81 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.63 |
| C2 (No. 5) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 2.34 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.60 |
Applications
Where Mg2SnN2 is used.
Frequently Asked Questions
Common questions about Mg2SnN2, answered from cross-validated data.
What is Mg2SnN2?
Mg2SnN2 is a ternary magnesium tin nitride compound that exhibits semimetallic electronic properties and is currently identified as a metastable phase.
What is Mg2SnN2 used for?
What is the band gap of Mg2SnN2?
Is Mg2SnN2 a metal, semiconductor, or insulator?
Is Mg2SnN2 thermodynamically stable?
What is the crystal structure of Mg2SnN2?
What is the density of Mg2SnN2?
How many polymorphs of Mg2SnN2 are known?
What elements does Mg2SnN2 contain?
Where does the data for Mg2SnN2 come from?
How It Compares
As a specialized ternary nitride, Mg2SnN2 serves as a distinct case study in the broader landscape of metal nitrides, where it occupies a niche position due to its semimetallic electronic profile compared to the more common insulating or semiconducting nitride phases.
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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