Sr3V2O7
Sr3V2O7 is a stable, semiconducting strontium vanadium oxide used in materials science research.
About Sr3V2O7
Sr3V2O7 is a complex oxide composed of strontium, vanadium, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust inorganic structure that has been characterized across multiple crystallographic databases.
Its semiconducting electronic character makes it an intriguing candidate for fundamental materials research. The compound is part of a broader family of strontium-vanadium oxides that are frequently investigated for their potential in electronic and catalytic applications.
Key Properties
Cross-validated computational properties for Sr3V2O7, 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 Sr3V2O7. 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 Sr3V2O7, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 0.56 | 0.0000 | -7.791 | 5.30 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0000 | -3.043 | — |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0001 | -3.043 | — |
| — | — | 0.47 | 0.0038 | -2.909 | — |
| I4/mmm (No. 139) | tetragonal | — | — | — | 5.30 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 5.45 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 5.30 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 5.02 |
Applications
Where Sr3V2O7 is used.
Frequently Asked Questions
Common questions about Sr3V2O7, answered from cross-validated data.
What is Sr3V2O7?
Sr3V2O7 is a stable, semiconducting strontium vanadium oxide used in materials science research.
What is Sr3V2O7 used for?
What is the band gap of Sr3V2O7?
Is Sr3V2O7 a metal, semiconductor, or insulator?
Is Sr3V2O7 thermodynamically stable?
What is the crystal structure of Sr3V2O7?
What is the density of Sr3V2O7?
How many polymorphs of Sr3V2O7 are known?
What elements does Sr3V2O7 contain?
Where does the data for Sr3V2O7 come from?
How It Compares
As a stable member of the strontium-vanadium-oxygen system, Sr3V2O7 occupies a distinct structural niche. It serves as a foundational example of how vanadium oxidation states and strontium coordination environments can be tuned to achieve stable, semiconducting electronic properties within this chemical family.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- 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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