V2Si2O7
V2Si2O7 is a semiconducting vanadium silicate that exists in a metastable state, serving as a subject of interest for structural and electronic materials research.
About V2Si2O7
V2Si2O7 is a vanadium-based silicate compound characterized by its semiconducting electronic nature. As a metastable phase, it represents a complex structural arrangement that highlights the intricate interplay between vanadium cations and the silicate framework.
This material is of significant interest in solid-state chemistry due to the diversity of its structural configurations. Its existence across multiple databases underscores its importance as a subject of study for understanding phase stability and electronic behavior in transition metal silicates.
Key Properties
Cross-validated computational properties for V2Si2O7, 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.
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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of V2Si2O7. 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.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for V2Si2O7, 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-1 (No. 2) | triclinic | 1.80 | 0.0429 | -8.681 | 3.63 |
| — | — | 0.00 | 0.0429 | -2.829 | — |
| C2/c (No. 15) | monoclinic | 1.94 | 0.0476 | -8.676 | 3.64 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0480 | -8.676 | 3.64 |
| Fd-3m (No. 227) | cubic | 2.33 | 0.0856 | -8.638 | 4.54 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0950 | -2.617 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1018 | -2.610 | — |
| Fd-3m (No. 227) | cubic | 0.72 | 0.1200 | -2.592 | — |
| Fd-3m (No. 227) | cubic | 0.72 | 0.1201 | -2.592 | — |
| P-1 (No. 2) | triclinic | — | — | — | 3.63 |
| Fd-3m (No. 227) | cubic | — | — | — | 4.95 |
| P-1 (No. 2) | triclinic | — | — | — | 3.76 |
Applications
Where V2Si2O7 is used.
Frequently Asked Questions
Common questions about V2Si2O7, answered from cross-validated data.
What is V2Si2O7?
V2Si2O7 is a semiconducting vanadium silicate that exists in a metastable state, serving as a subject of interest for structural and electronic materials research.
What is V2Si2O7 used for?
What is the band gap of V2Si2O7?
Is V2Si2O7 a metal, semiconductor, or insulator?
Is V2Si2O7 thermodynamically stable?
What is the crystal structure of V2Si2O7?
What is the density of V2Si2O7?
How many polymorphs of V2Si2O7 are known?
What elements does V2Si2O7 contain?
Where does the data for V2Si2O7 come from?
How It Compares
As a unique vanadium silicate, V2Si2O7 occupies a distinct niche in materials science. Unlike more common, highly stable silicate minerals, its metastable nature makes it a compelling candidate for exploring kinetic stabilization and specialized electronic applications where traditional, highly stable oxides may not be suitable.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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