ScVO3
ScVO3 is a metastable semiconducting oxide containing scandium and vanadium.
About ScVO3
ScVO3 is a complex oxide composed of scandium, vanadium, and oxygen. As a metastable material, it represents a unique structural configuration that offers intriguing possibilities for solid-state research and electronic applications.
Its semiconducting nature makes it a subject of interest for those studying transition metal oxides. Given its structural diversity, it serves as a valuable case study for understanding phase stability and electronic behavior in ternary oxide systems.
Key Properties
Cross-validated computational properties for ScVO3, 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 ScVO3. 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 ScVO3, 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. |
|---|---|---|---|---|---|
| — | — | 1.45 | 0.0489 | -3.170 | — |
| Pnma (No. 62) | orthorhombic | 1.51 | 0.0494 | -9.254 | 4.43 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0510 | -3.099 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.5449 | -2.605 | — |
| — | — | 0.00 | 0.7132 | -2.506 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.7258 | -8.578 | 4.40 |
| — | — | 0.00 | 1.1496 | -2.069 | — |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.43 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.80 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.61 |
Applications
Where ScVO3 is used.
Frequently Asked Questions
Common questions about ScVO3, answered from cross-validated data.
What is ScVO3?
ScVO3 is a metastable semiconducting oxide containing scandium and vanadium.
What is ScVO3 used for?
What is the band gap of ScVO3?
Is ScVO3 a metal, semiconductor, or insulator?
Is ScVO3 thermodynamically stable?
What is the crystal structure of ScVO3?
What is the density of ScVO3?
How many polymorphs of ScVO3 are known?
What elements does ScVO3 contain?
Where does the data for ScVO3 come from?
How It Compares
As a member of the ternary oxide family, ScVO3 occupies a distinct niche due to its metastable nature. While many oxides in this class are synthesized in highly stable configurations, ScVO3 provides a unique opportunity to investigate the properties of materials that exist outside of standard thermodynamic equilibrium.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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