Hf3N2
Hf3N2 is a thermodynamically stable, metallic ultra-high-temperature ceramic used in advanced materials research for extreme-environment applications.
About Hf3N2
Hafnium subnitride, Hf3N2, is a metallic ultra-high-temperature ceramic that sits securely on the thermodynamic convex hull. Its electronic structure is defined by metallic conductivity, distinguishing it from the typical insulating nature of many ceramic nitrides. This stability and unique electronic profile make it a significant subject of research for structural applications requiring durability under intense thermal stress.
With dozens of reported structures across various databases, Hf3N2 represents a well-characterized phase within the hafnium-nitrogen system. Its ability to maintain structural integrity under extreme conditions positions it as a vital material for high-performance engineering, where thermal resilience and reliable phase stability are paramount.
Key Properties
Cross-validated computational properties for Hf3N2, aggregated across 5 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 Hf3N2, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.00 | 0.0000 | -32.426 | 13.62 |
| R3m (No. 160) | trigonal | 0.00 | 0.0944 | -32.331 | 13.35 |
| P3m1 (No. 156) | Trigonal | — | — | — | 9.97 |
| I4/mmm (No. 139) | — | — | — | — | — |
| P-3m1 (No. 164) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 12.80 |
| P-3m1 (No. 164) | — | — | — | — | — |
| P3m1 (No. 156) | Trigonal | — | — | — | 13.23 |
| P-3m1 (No. 164) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 6.71 |
Applications
Where Hf3N2 is used.
Frequently Asked Questions
Common questions about Hf3N2, answered from cross-validated data.
What is Hf3N2?
Hf3N2 is a thermodynamically stable, metallic ultra-high-temperature ceramic used in advanced materials research for extreme-environment applications.
What is Hf3N2 used for?
What is the band gap of Hf3N2?
Is Hf3N2 a metal, semiconductor, or insulator?
Is Hf3N2 thermodynamically stable?
What is the crystal structure of Hf3N2?
What is the density of Hf3N2?
How many polymorphs of Hf3N2 are known?
What elements does Hf3N2 contain?
Where does the data for Hf3N2 come from?
How It Compares
Within the ultra-high-temperature ceramics class.
Within the family of ultra-high-temperature ceramics, Hf3N2 stands out for its metallic electronic character compared to the more common insulating or semiconducting nitrides like Hf3N4. While materials like HfC and ZrC are widely utilized for their extreme hardness and thermal resistance, Hf3N2 offers a distinct stoichiometry that provides researchers with a different structural pathway for tailoring the properties of hafnium-based refractory compounds.
Related Compounds
Other Ultra-High-Temperature Ceramics in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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