Ca3CoO6
Calcium cobalt oxide is a complex inorganic compound characterized by a unique one-dimensional chain structure. It is primarily studied in materials science for its interesting magnetic properties and potential as a precursor for advanced electronic or catalytic materials.
Key Properties
Cross-validated computational properties for Ca3CoO6, 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 Ca3CoO6, 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 (No. 5) | monoclinic | 0.21 | 0.0460 | -6.582 | 3.53 |
| C2 (No. 5) | monoclinic | 0.21 | 0.0466 | -6.581 | 3.52 |
| R-3c (No. 167) | trigonal | 0.00 | 0.0475 | -6.580 | 3.54 |
| C2/c (No. 15) | monoclinic | 0.19 | 0.0475 | -6.580 | 3.54 |
| Cc (No. 9) | monoclinic | 0.00 | 0.0484 | -6.579 | 3.55 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.55 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.70 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.64 |
| R-3c (No. 167) | — | — | — | — | — |
Applications
Where Ca3CoO6 is used.
Frequently Asked Questions
Common questions about Ca3CoO6, answered from cross-validated data.
What is Ca3CoO6?
Calcium cobalt oxide is a complex inorganic compound characterized by a unique one-dimensional chain structure. It is primarily studied in materials science for its interesting magnetic properties and potential as a precursor for advanced electronic or catalytic materials.
What is Ca3CoO6 used for?
What is the band gap of Ca3CoO6?
Is Ca3CoO6 a metal, semiconductor, or insulator?
Is Ca3CoO6 thermodynamically stable?
What is the crystal structure of Ca3CoO6?
What is the density of Ca3CoO6?
How many polymorphs of Ca3CoO6 are known?
What elements does Ca3CoO6 contain?
Where does the data for Ca3CoO6 come from?
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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