HfZnN2
HfZnN2 is a thermodynamically stable semiconducting ternary nitride used in advanced materials research.
About HfZnN2
HfZnN2 is a semiconducting ternary nitride that occupies a stable position on the thermodynamic convex hull. Its unique composition of hafnium, zinc, and nitrogen makes it an intriguing candidate for materials research, particularly where structural stability and electronic properties are critical for device performance. The material has been documented across multiple structural databases, reflecting significant interest in its crystalline arrangements. As a stable semiconductor, it offers a platform for exploring novel electronic behaviors that are distinct from more common binary nitrides. Its potential utility lies in its ability to maintain structural integrity while providing tunable electronic characteristics suitable for next-generation semiconductor technologies.
Key Properties
Cross-validated computational properties for HfZnN2, 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 HfZnN2, 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. |
|---|---|---|---|---|---|
| P3m1 (No. 156) | trigonal | 2.32 | 0.0000 | -19.322 | 9.41 |
| P3m1 (No. 156) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 8.57 |
| P-1 (No. 2) | Triclinic | — | — | — | 11.04 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.81 |
Applications
Where HfZnN2 is used.
Frequently Asked Questions
Common questions about HfZnN2, answered from cross-validated data.
What is HfZnN2?
HfZnN2 is a thermodynamically stable semiconducting ternary nitride used in advanced materials research.
What is HfZnN2 used for?
What is the band gap of HfZnN2?
Is HfZnN2 a metal, semiconductor, or insulator?
Is HfZnN2 thermodynamically stable?
What is the crystal structure of HfZnN2?
What is the density of HfZnN2?
How many polymorphs of HfZnN2 are known?
What elements does HfZnN2 contain?
Where does the data for HfZnN2 come from?
How It Compares
As a ternary nitride, HfZnN2 represents a specialized class of semiconducting materials that balance the robust bonding characteristics of hafnium with the versatile electronic nature of zinc and nitrogen. Unlike simpler binary nitrides, this compound benefits from its position on the thermodynamic convex hull, suggesting a high degree of structural reliability that is essential for practical deployment in complex electronic systems.
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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