Nb3N5
Nb3N5 is a semiconducting ultra-high-temperature ceramic that sits near the thermodynamic hull, making it a promising candidate for advanced materials research.
About Nb3N5
Nb3N5 is a semiconducting member of the ultra-high-temperature ceramic family, characterized by its complex structural landscape and potential for high-performance applications. Its status as a near-hull material suggests it is a viable candidate for experimental synthesis and further investigation in extreme environments. This compound represents a sophisticated intersection of transition metal chemistry and nitrogen bonding. Its electronic properties make it an intriguing subject for researchers looking to expand the utility of nitrides beyond traditional refractory materials.
Key Properties
Cross-validated computational properties for Nb3N5, 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 Nb3N5, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.70 | 0.0146 | -15.938 | 5.50 |
| P2 (No. 3) | Monoclinic | — | — | — | 5.00 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.50 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.58 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.45 |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.06 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.27 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.79 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 7.56 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 6.43 |
| P1 (No. 1) | Triclinic | — | — | — | 7.66 |
| P1 (No. 1) | Triclinic | — | — | — | 8.79 |
Applications
Where Nb3N5 is used.
Frequently Asked Questions
Common questions about Nb3N5, answered from cross-validated data.
What is Nb3N5?
Nb3N5 is a semiconducting ultra-high-temperature ceramic that sits near the thermodynamic hull, making it a promising candidate for advanced materials research.
What is Nb3N5 used for?
What is the band gap of Nb3N5?
Is Nb3N5 a metal, semiconductor, or insulator?
Is Nb3N5 thermodynamically stable?
What is the crystal structure of Nb3N5?
What is the density of Nb3N5?
How many polymorphs of Nb3N5 are known?
What elements does Nb3N5 contain?
Where does the data for Nb3N5 come from?
How It Compares
Within the ultra-high-temperature ceramics class.
Within the broader category of ultra-high-temperature ceramics, Nb3N5 occupies a distinct niche compared to more conventional carbides like HfC or ZrC. While many of its siblings, such as TaN, are well-established refractory materials, Nb3N5 offers a unique semiconducting profile that differentiates it from the predominantly metallic or insulating behaviors found in other members of this class.
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.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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