Co2O6Sc2

This compound is a complex oxide containing cobalt, scandium, and oxygen. It is primarily studied in materials science research for its structural properties and potential behavior in advanced electronic or magnetic systems.

Crystal structure of Co2O6Sc2 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Co2O6Sc2, aggregated across 3 databases.

Band Gap

0.79–0.90 eV
Range across DFT structures

Energy Above Hull

0.069 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

15
3 databases, 8 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Co2O6Sc2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic0.900.0692-8.1924.98
Pnma (No. 62)orthorhombic0.000.0695-8.1924.86
Pm-3m (No. 221)cubic0.790.5592-7.7025.14
3.39
R3c (No. 161)
Fmmm (No. 69)
R-3c (No. 167)
I4/mcm (No. 140)
R-3 (No. 148)
R-3c (No. 167)
R3c (No. 161)
R-3 (No. 148)
Uses

Applications

Where Co2O6Sc2 is used.

Materials science researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Co2O6Sc2, answered from cross-validated data.

What is Co2O6Sc2?

This compound is a complex oxide containing cobalt, scandium, and oxygen. It is primarily studied in materials science research for its structural properties and potential behavior in advanced electronic or magnetic systems.

More questions
What is Co2O6Sc2 used for?
Co2O6Sc2 is used in materials science research and solid-state chemistry studies.
What is the band gap of Co2O6Sc2?
Co2O6Sc2 has a DFT-computed band gap of 0.79–0.90 eV across 15 reported structures.
Is Co2O6Sc2 a metal, semiconductor, or insulator?
With a band gap up to 0.90 eV it is a semiconductor.
Is Co2O6Sc2 thermodynamically stable?
Co2O6Sc2 has a lowest energy above hull of 0.069 eV/atom (metastable).
What is the crystal structure of Co2O6Sc2?
The lowest-energy reported polymorph of Co2O6Sc2 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Co2O6Sc2?
The computed density of the ground-state structure of Co2O6Sc2 is 4.98 g/cm³.
How many polymorphs of Co2O6Sc2 are known?
15 structures of Co2O6Sc2 are reported across 3 databases, spanning 8 distinct space groups.
What elements does Co2O6Sc2 contain?
Co2O6Sc2 contains Co, O, and Sc (3 elements).
Where does the data for Co2O6Sc2 come from?
Co2O6Sc2 data is cross-referenced from materials_project, omat24, aflow.
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Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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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