Ca6Co3RhO12
Ca6Co3RhO12 is a metastable semiconducting oxide composed of calcium, cobalt, rhodium, and oxygen.
About Ca6Co3RhO12
Ca6Co3RhO12 is a complex quaternary oxide that exhibits semiconducting behavior. Its structural arrangement, characterized by the interplay between calcium, cobalt, rhodium, and oxygen, places it within a niche category of oxides that are currently of interest for fundamental materials science exploration.
As a metastable compound, it represents a specific configuration of elements that requires precise synthesis conditions to stabilize. Its existence across multiple structural reports highlights its significance as a subject for researchers investigating the relationship between atomic coordination and electronic properties in transition metal oxides.
Key Properties
Cross-validated computational properties for Ca6Co3RhO12, 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 Ca6Co3RhO12, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 0.13 | 0.0318 | -6.913 | 4.55 |
| R-3 (No. 148) | Trigonal | — | — | — | 4.55 |
| R-3 (No. 148) | Trigonal | — | — | — | 4.77 |
| R-3 (No. 148) | Trigonal | — | — | — | 4.67 |
| R-3 (No. 148) | — | — | — | — | — |
Applications
Where Ca6Co3RhO12 is used.
Frequently Asked Questions
Common questions about Ca6Co3RhO12, answered from cross-validated data.
What is Ca6Co3RhO12?
Ca6Co3RhO12 is a metastable semiconducting oxide composed of calcium, cobalt, rhodium, and oxygen.
What is Ca6Co3RhO12 used for?
What is the band gap of Ca6Co3RhO12?
Is Ca6Co3RhO12 a metal, semiconductor, or insulator?
Is Ca6Co3RhO12 thermodynamically stable?
What is the crystal structure of Ca6Co3RhO12?
What is the density of Ca6Co3RhO12?
How many polymorphs of Ca6Co3RhO12 are known?
What elements does Ca6Co3RhO12 contain?
Where does the data for Ca6Co3RhO12 come from?
How It Compares
As a unique quaternary oxide, Ca6Co3RhO12 serves as a specialized example of how rhodium and cobalt can be integrated into a calcium-rich lattice to tune electronic transport properties, standing as a distinct entry point for studying metastable oxide phases.
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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