Nb2N
Nb2N has a DFT band gap of Metallic / not reported across 175 reported structures in 26 space groups; its lowest-energy polymorph is trigonal (P-31m (No. 162)). Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Nb2N, aggregated across 4 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.
Metallic / not reported
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
175
4 databases, 26 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Nb2N, 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. |
|---|---|---|---|---|---|
| P-31m (No. 162) | trigonal | 0.00 | 0.0000 | -20.515 | 8.06 |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.1173 | -20.398 | 7.91 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 8.01 |
| P1 (No. 1) | Triclinic | — | — | — | 5.28 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.15 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.01 |
| P2/c (No. 13) | Monoclinic | — | — | — | 7.08 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.76 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.48 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.32 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.30 |
| Pm (No. 6) | Monoclinic | — | — | — | 6.50 |
Reference
Frequently Asked Questions
Common questions about Nb2N, answered from cross-validated data.
What is the band gap of Nb2N?
Nb2N is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is Nb2N a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Nb2N thermodynamically stable?
Yes — Nb2N sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Nb2N?
The lowest-energy reported polymorph of Nb2N is trigonal symmetry, space group P-31m (No. 162).
What is the density of Nb2N?
The computed density of the ground-state structure of Nb2N is 8.06 g/cm³.
How many polymorphs of Nb2N are known?
175 structures of Nb2N are reported across 4 databases, spanning 26 distinct space groups.
What elements does Nb2N contain?
Nb2N contains N and Nb (2 elements).
Where does the data for Nb2N come from?
Nb2N data is cross-referenced from materials_project, mpaloe.
Explore
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.
Analyze Nb2N in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →