Nb2C
Nb2C has a DFT band gap of Metallic / not reported across 135 reported structures in 25 space groups; its lowest-energy polymorph is orthorhombic (Pnma (No. 62)). Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Nb2C, 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.
135
4 databases, 25 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Nb2C, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -20.341 | 7.68 |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0101 | -20.331 | 7.66 |
| Pm (No. 6) | Monoclinic | — | — | — | 7.50 |
| Pnma (No. 62) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.13 |
| P-3m1 (No. 164) | — | — | — | — | — |
| Pm (No. 6) | Monoclinic | — | — | — | 6.39 |
| I4/mcm (No. 140) | Tetragonal | — | — | — | 7.28 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.18 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.31 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.55 |
| P1 (No. 1) | Triclinic | — | — | — | 7.47 |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting Nb2C.
Sol-Gel
Procedure available · ceder_solid_state
Reference
Frequently Asked Questions
Common questions about Nb2C, answered from cross-validated data.
What is the band gap of Nb2C?
Nb2C is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is Nb2C a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Nb2C thermodynamically stable?
Yes — Nb2C sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Nb2C?
The lowest-energy reported polymorph of Nb2C is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of Nb2C?
The computed density of the ground-state structure of Nb2C is 7.68 g/cm³.
How many polymorphs of Nb2C are known?
135 structures of Nb2C are reported across 4 databases, spanning 25 distinct space groups.
How is Nb2C synthesized?
Literature-reported routes for Nb2C include sol-gel.
What elements does Nb2C contain?
Nb2C contains C and Nb (2 elements).
Where does the data for Nb2C come from?
Nb2C data is cross-referenced from materials_project, mpaloe, jarvis.
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.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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