VGa
VGa has a DFT band gap of Metallic / not reported across 115 reported structures in 23 space groups; its lowest-energy polymorph is hexagonal (P-6m2 (No. 187)). Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for VGa, 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.
0.091 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
115
4 databases, 23 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for VGa, 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-6m2 (No. 187) | hexagonal | 0.00 | 0.0908 | -12.935 | 6.89 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.60 |
| P2/c (No. 13) | Monoclinic | — | — | — | 7.28 |
| P2/c (No. 13) | Monoclinic | — | — | — | 7.15 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 6.54 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.26 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 6.79 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 6.94 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.23 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 7.67 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 7.27 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.78 |
Reference
Frequently Asked Questions
Common questions about VGa, answered from cross-validated data.
What is the band gap of VGa?
VGa is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is VGa a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is VGa thermodynamically stable?
VGa has a lowest energy above hull of 0.091 eV/atom (metastable).
What is the crystal structure of VGa?
The lowest-energy reported polymorph of VGa is hexagonal symmetry, space group P-6m2 (No. 187).
What is the density of VGa?
The computed density of the ground-state structure of VGa is 6.89 g/cm³.
How many polymorphs of VGa are known?
115 structures of VGa are reported across 4 databases, spanning 23 distinct space groups.
What elements does VGa contain?
VGa contains Ga and V (2 elements).
Where does the data for VGa come from?
VGa data is cross-referenced from materials_project, mpaloe.
Explore
Related Compounds
Other A15 Superconductors 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.
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