Sc2V2O7
Sc2V2O7 is a metastable semiconducting oxide containing scandium and vanadium used in fundamental materials research.
About Sc2V2O7
Sc2V2O7 is a complex oxide composed of scandium, vanadium, and oxygen. As a semiconducting material, it represents a unique intersection of transition metal chemistry and structural complexity, drawing interest for its electronic properties in solid-state research.
Though classified as metastable, this compound has been identified across multiple structural configurations in materials databases. Its existence in several distinct forms highlights the intricate phase landscape of scandium-vanadium oxides, making it a subject of ongoing investigation for researchers mapping new inorganic phases.
Key Properties
Cross-validated computational properties for Sc2V2O7, aggregated across 2 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 Sc2V2O7. 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 Sc2V2O7, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.23 | 0.0193 | -3.111 | — |
| C2/m (No. 12) | monoclinic | 0.60 | 0.0572 | -9.074 | 3.45 |
| Fd-3m (No. 227) | cubic | 1.21 | 0.0749 | -9.057 | 4.27 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.74 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.45 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.57 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Sc2V2O7.
Applications
Where Sc2V2O7 is used.
Frequently Asked Questions
Common questions about Sc2V2O7, answered from cross-validated data.
What is Sc2V2O7?
Sc2V2O7 is a metastable semiconducting oxide containing scandium and vanadium used in fundamental materials research.
What is Sc2V2O7 used for?
What is the band gap of Sc2V2O7?
Is Sc2V2O7 a metal, semiconductor, or insulator?
Is Sc2V2O7 thermodynamically stable?
What is the crystal structure of Sc2V2O7?
How many polymorphs of Sc2V2O7 are known?
How is Sc2V2O7 synthesized?
What elements does Sc2V2O7 contain?
Where does the data for Sc2V2O7 come from?
How It Compares
As a standalone entry in this specific compositional space, Sc2V2O7 serves as a foundational example of how scandium and vanadium can coordinate with oxygen to produce semiconducting behavior. It occupies a distinct niche, providing a reference point for understanding the stability and electronic trends of complex ternary oxides that deviate from more common, highly stable mineral structures.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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