Sc2Ti2O7
Sc2Ti2O7 is a stable, insulating oxide compound consisting of scandium, titanium, and oxygen atoms.
About Sc2Ti2O7
Sc2Ti2O7 is a complex oxide composed of scandium, titanium, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.
Characterized as a wide-band-gap insulator, this compound is of significant interest for applications requiring electrical insulation and chemical durability. Its electronic properties make it a candidate for research into dielectric materials and specialized ceramic components.
Key Properties
Cross-validated computational properties for Sc2Ti2O7, 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.
Reported Structures
Lowest-energy structures reported for Sc2Ti2O7, 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 | 3.57 | 0.0000 | -9.463 | 3.41 |
| P21 (No. 4) | monoclinic | 2.83 | 0.0567 | -9.406 | 4.10 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.34 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.40 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.49 |
Applications
Where Sc2Ti2O7 is used.
Frequently Asked Questions
Common questions about Sc2Ti2O7, answered from cross-validated data.
What is Sc2Ti2O7?
Sc2Ti2O7 is a stable, insulating oxide compound consisting of scandium, titanium, and oxygen atoms.
What is Sc2Ti2O7 used for?
What is the band gap of Sc2Ti2O7?
Is Sc2Ti2O7 a metal, semiconductor, or insulator?
Is Sc2Ti2O7 thermodynamically stable?
What is the crystal structure of Sc2Ti2O7?
What is the density of Sc2Ti2O7?
How many polymorphs of Sc2Ti2O7 are known?
What elements does Sc2Ti2O7 contain?
Where does the data for Sc2Ti2O7 come from?
How It Compares
As a distinct oxide phase, Sc2Ti2O7 occupies a unique position within the broader landscape of scandium-titanium-oxygen compounds, serving as a stable reference point for structural and electronic studies in this chemical space.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
Analyze Sc2Ti2O7 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →