VB
VB has a DFT band gap of Metallic / not reported across 331 reported structures in 42 space groups; its lowest-energy polymorph is orthorhombic (Cmcm (No. 63)). Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for VB, 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.
331
4 databases, 42 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for VB, 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 | 0.00 | 0.0000 | -11.618 | 5.70 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.30 |
| P1 (No. 1) | Triclinic | — | — | — | 6.01 |
| P1 (No. 1) | Triclinic | — | — | — | 3.52 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.29 |
| P1 (No. 1) | Triclinic | — | — | — | 5.18 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.27 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.96 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 3.16 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 3.70 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 5.29 |
| P1 (No. 1) | Triclinic | — | — | — | 4.10 |
Reference
Frequently Asked Questions
Common questions about VB, answered from cross-validated data.
What is the band gap of VB?
VB is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is VB a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is VB thermodynamically stable?
Yes — VB sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of VB?
The lowest-energy reported polymorph of VB is orthorhombic symmetry, space group Cmcm (No. 63).
What is the density of VB?
The computed density of the ground-state structure of VB is 5.70 g/cm³.
How many polymorphs of VB are known?
331 structures of VB are reported across 4 databases, spanning 42 distinct space groups.
What elements does VB contain?
VB contains B and V (2 elements).
Where does the data for VB come from?
VB data is cross-referenced from materials_project, mpaloe, jarvis.
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Related Compounds
Other Transition-Metal Borides 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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