ZrSnN2
ZrSnN2 is a semiconducting ternary nitride material that is currently studied for its structural properties despite its metastable nature.
About ZrSnN2
ZrSnN2 is a semiconducting ternary nitride that belongs to the broader class of MAX-like phases. Its electronic structure suggests potential utility in specialized optoelectronic or semiconductor applications where nitrogen-rich environments are required.
Despite its interesting electronic character, the compound is characterized by its position above the thermodynamic hull, indicating that it is likely metastable. Its existence across multiple reported structures highlights the ongoing interest in synthesizing and stabilizing this specific nitride arrangement.
Key Properties
Cross-validated computational properties for ZrSnN2, 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 ZrSnN2, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 0.65 | 0.1738 | -17.345 | 6.13 |
| P4/nmm (No. 129) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 7.45 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.00 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.69 |
Applications
Where ZrSnN2 is used.
Frequently Asked Questions
Common questions about ZrSnN2, answered from cross-validated data.
What is ZrSnN2?
ZrSnN2 is a semiconducting ternary nitride material that is currently studied for its structural properties despite its metastable nature.
What is ZrSnN2 used for?
What is the band gap of ZrSnN2?
Is ZrSnN2 a metal, semiconductor, or insulator?
Is ZrSnN2 thermodynamically stable?
What is the crystal structure of ZrSnN2?
What is the density of ZrSnN2?
How many polymorphs of ZrSnN2 are known?
What elements does ZrSnN2 contain?
Where does the data for ZrSnN2 come from?
How It Compares
Within the max phases class.
Within the diverse landscape of MAX-related phases, ZrSnN2 shares structural similarities with other group-IV based nitrides like ZrGeN2. While many members of this class exhibit robust stability, ZrSnN2 is distinguished by its relative thermodynamic instability, placing it in a different regime of synthetic accessibility compared to more conventional members like Nb3Al2N.
Related Compounds
Other MAX Phases 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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