Nb2O8Sc2
Nb2O8Sc2 is a thermodynamically stable, insulating ternary oxide composed of niobium, scandium, and oxygen.
About Nb2O8Sc2
Nb2O8Sc2 is a complex oxide composed of niobium, scandium, and oxygen. As a wide-band-gap insulator, it exhibits robust electronic properties that make it a subject of interest for fundamental materials research and potential dielectric applications. Its position on the convex hull confirms that it is a thermodynamically stable phase, suggesting high structural integrity under standard conditions.
With multiple reported structures across various databases, this compound represents a well-characterized system within the broader landscape of ternary transition metal oxides. Its stability and insulating nature are key factors that researchers evaluate when considering its utility in specialized electronic or optical components where stable, non-conductive oxides are required.
Key Properties
Cross-validated computational properties for Nb2O8Sc2, 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 Nb2O8Sc2, 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. |
|---|---|---|---|---|---|
| P2/c (No. 13) | monoclinic | 3.30 | 0.0000 | -9.504 | 4.71 |
| I41/a (No. 88) | — | — | — | — | — |
| P2/c (No. 13) | — | — | — | — | — |
| P2/c (No. 13) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| — | — | — | — | — | 4.14 |
Applications
Where Nb2O8Sc2 is used.
Frequently Asked Questions
Common questions about Nb2O8Sc2, answered from cross-validated data.
What is Nb2O8Sc2?
Nb2O8Sc2 is a thermodynamically stable, insulating ternary oxide composed of niobium, scandium, and oxygen.
What is Nb2O8Sc2 used for?
What is the band gap of Nb2O8Sc2?
Is Nb2O8Sc2 a metal, semiconductor, or insulator?
Is Nb2O8Sc2 thermodynamically stable?
What is the crystal structure of Nb2O8Sc2?
What is the density of Nb2O8Sc2?
How many polymorphs of Nb2O8Sc2 are known?
What elements does Nb2O8Sc2 contain?
Where does the data for Nb2O8Sc2 come from?
How It Compares
As a stable ternary oxide, Nb2O8Sc2 serves as a foundational example of how niobium and scandium can integrate into a rigid, insulating lattice. While it stands as a distinct phase in this study, it contributes to the broader understanding of how rare-earth or transition metal oxides maintain thermodynamic equilibrium in complex crystalline arrangements.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze Nb2O8Sc2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →