CaSc2O4
CaSc2O4 is a stable, insulating ternary oxide composed of calcium, scandium, and oxygen.
About CaSc2O4
CaSc2O4 is a thermodynamically stable oxide that occupies a position on the convex hull, indicating significant structural robustness. As a wide-band-gap insulator, it exhibits the electronic characteristics typical of stable ternary oxides used in specialized material science research.
Its composition of calcium, scandium, and oxygen allows it to serve as a foundational material for exploring complex oxide chemistry. The compound is valued for its stability, making it a reliable candidate for studies involving high-performance dielectric or ceramic applications.
Key Properties
Cross-validated computational properties for CaSc2O4, 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.
Reported Structures
Lowest-energy structures reported for CaSc2O4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 3.46 | 0.0000 | -8.707 | 3.89 |
| Pnma (No. 62) | — | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting CaSc2O4.
Applications
Where CaSc2O4 is used.
Frequently Asked Questions
Common questions about CaSc2O4, answered from cross-validated data.
What is CaSc2O4?
CaSc2O4 is a stable, insulating ternary oxide composed of calcium, scandium, and oxygen.
What is CaSc2O4 used for?
What is the band gap of CaSc2O4?
Is CaSc2O4 a metal, semiconductor, or insulator?
Is CaSc2O4 thermodynamically stable?
What is the crystal structure of CaSc2O4?
What is the density of CaSc2O4?
How many polymorphs of CaSc2O4 are known?
How is CaSc2O4 synthesized?
What elements does CaSc2O4 contain?
Where does the data for CaSc2O4 come from?
How It Compares
As a thermodynamically stable ternary oxide, CaSc2O4 represents a well-defined structural archetype within the broader landscape of calcium-scandium-based materials. It serves as a key reference point for researchers investigating the interplay between alkaline earth metals and transition metal oxides in insulating systems.
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).
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