Be2Nb
Be2Nb is a metallic intermetallic compound of beryllium and niobium that shows promise for synthesis due to its favorable thermodynamic stability.
About Be2Nb
Be2Nb is a metallic intermetallic compound composed of beryllium and niobium. Its electronic character is defined by its metallic nature, lacking a band gap, which influences its thermal and electrical transport properties in demanding environments.
As a near-hull stable phase, this compound is considered a viable candidate for synthesis and experimental characterization. It represents an important entry in the broader family of beryllides, which are frequently investigated for their potential in extreme-environment applications.
Key Properties
Cross-validated computational properties for Be2Nb, 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.
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 Be2Nb, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 0.00 | 0.0218 | -6.050 | 5.25 |
| P3m1 (No. 156) | Trigonal | — | — | — | 3.53 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.21 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.50 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 3.60 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 3.86 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.14 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.69 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.56 |
| R3m (No. 160) | Trigonal | — | — | — | 3.49 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.14 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.21 |
Applications
Where Be2Nb is used.
Frequently Asked Questions
Common questions about Be2Nb, answered from cross-validated data.
What is Be2Nb?
Be2Nb is a metallic intermetallic compound of beryllium and niobium that shows promise for synthesis due to its favorable thermodynamic stability.
What is Be2Nb used for?
What is the band gap of Be2Nb?
Is Be2Nb a metal, semiconductor, or insulator?
Is Be2Nb thermodynamically stable?
What is the crystal structure of Be2Nb?
What is the density of Be2Nb?
How many polymorphs of Be2Nb are known?
What elements does Be2Nb contain?
Where does the data for Be2Nb come from?
How It Compares
As a distinct beryllide phase, Be2Nb occupies a unique position within the landscape of intermetallic compounds. While it lacks direct siblings in this specific dataset, it serves as a critical reference point for understanding the structural stability and metallic bonding characteristics inherent to niobium-beryllium systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
Analyze Be2Nb in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →