O4Rb2Sc2
O4Rb2Sc2 is a thermodynamically stable, wide-gap insulating oxide composed of rubidium, scandium, and oxygen.
About O4Rb2Sc2
O4Rb2Sc2 is a complex oxide composed of rubidium, scandium, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.
This material functions as a wide-gap insulator, characterized by its electronic isolation properties. Its stable nature and specific elemental composition make it an intriguing subject for fundamental research into oxide chemistry and potential dielectric applications.
Key Properties
Cross-validated computational properties for O4Rb2Sc2, 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 O4Rb2Sc2, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 3.45 | 0.0000 | -7.303 | 4.58 |
| R-3m (No. 166) | trigonal | 3.30 | 0.0029 | -7.300 | 4.57 |
| — | — | — | — | — | 3.62 |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| — | — | — | — | — | 3.69 |
Applications
Where O4Rb2Sc2 is used.
Frequently Asked Questions
Common questions about O4Rb2Sc2, answered from cross-validated data.
What is O4Rb2Sc2?
O4Rb2Sc2 is a thermodynamically stable, wide-gap insulating oxide composed of rubidium, scandium, and oxygen.
What is O4Rb2Sc2 used for?
What is the band gap of O4Rb2Sc2?
Is O4Rb2Sc2 a metal, semiconductor, or insulator?
Is O4Rb2Sc2 thermodynamically stable?
What is the crystal structure of O4Rb2Sc2?
What is the density of O4Rb2Sc2?
How many polymorphs of O4Rb2Sc2 are known?
What elements does O4Rb2Sc2 contain?
Where does the data for O4Rb2Sc2 come from?
How It Compares
As a distinct oxide phase, O4Rb2Sc2 occupies a unique position within the broader landscape of rubidium-scandium-based compounds. Its thermodynamic stability distinguishes it as a reliable reference point for researchers investigating the structural diversity of ternary oxides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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