VGe3
VGe3 has a DFT band gap of Metallic / not reported across 21 reported structures in 6 space groups; its reference structure is cubic (Pm-3n (No. 223)). Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for VGe3, aggregated across 3 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.
0.342 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.
Unstable
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
21
3 databases, 6 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of VGe3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
0.72 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.069 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
3
jarvis, materials_project, oqmd
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
Reported Structures
Lowest-energy structures reported for VGe3, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.3424 | 0.222 | — |
| Pm-3n (No. 223) | cubic | 0.00 | 0.3679 | -5.521 | 6.74 |
| — | — | 0.00 | 0.3916 | 0.271 | — |
| — | — | 0.00 | 0.4011 | 0.281 | — |
| — | — | 0.00 | 0.4058 | 0.285 | — |
| Pm-3n (No. 223) | cubic | 0.00 | 0.4115 | 0.272 | — |
| — | — | 0.00 | 0.5034 | 0.383 | — |
| Pm-3n (No. 223) | cubic | — | — | — | 8.24 |
| Cm (No. 8) | monoclinic | — | — | — | 5.07 |
| P-1 (No. 2) | triclinic | — | — | — | 5.63 |
| C2 (No. 5) | monoclinic | — | — | — | 4.45 |
| C2 (No. 5) | monoclinic | — | — | — | 9.12 |
Reference
Frequently Asked Questions
Common questions about VGe3, answered from cross-validated data.
What is the band gap of VGe3?
The reported DFT structures of VGe3 show no band gap. Standard DFT often misses gaps (especially in transition-metal oxides), so this is not proof the real material is a metal.
More questions
Is VGe3 a metal, semiconductor, or insulator?
DFT calculations predict no band gap. Standard DFT can miss gaps, so measurements are needed to confirm metallic behavior.
Is VGe3 thermodynamically stable?
VGe3 has a lowest energy above hull of 0.342 eV/atom (unstable).
What is the crystal structure of VGe3?
The reference structure of VGe3 is cubic symmetry, space group Pm-3n (No. 223).
What is the density of VGe3?
The computed density of the ground-state structure of VGe3 is 6.74 g/cm³.
How many polymorphs of VGe3 are known?
21 structures of VGe3 are reported across 3 databases, spanning 6 distinct space groups.
What elements does VGe3 contain?
VGe3 contains Ge and V (2 elements).
Where does the data for VGe3 come from?
VGe3 data is cross-referenced from oqmd, materials_project, jarvis, cod, mpaloe.
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Related Compounds
Other A15 Superconductors in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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