Ca4Co2O14Si4
Ca4Co2O14Si4 is a wide-gap insulating silicate compound that is theoretically stable and potentially synthesizable for advanced research.
About Ca4Co2O14Si4
Ca4Co2O14Si4 is a complex silicate material containing cobalt, calcium, and oxygen. As a wide-gap insulator, it exhibits distinct electronic properties that differentiate it from typical conductive oxides, making it an intriguing subject for fundamental materials science exploration.
Given its position near the thermodynamic hull, this compound is considered a promising candidate for successful laboratory synthesis. Its structural complexity and stability profile suggest it may possess unique lattice arrangements suitable for specialized solid-state applications.
Key Properties
Cross-validated computational properties for Ca4Co2O14Si4, 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 Ca4Co2O14Si4, 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. |
|---|---|---|---|---|---|
| P-421m (No. 113) | tetragonal | 3.06 | 0.0185 | -7.786 | 3.22 |
| P21212 (No. 18) | orthorhombic | 3.11 | 0.0269 | -7.778 | 3.21 |
| P-421m (No. 113) | — | — | — | — | — |
| P-421m (No. 113) | — | — | — | — | — |
| P-421m (No. 113) | — | — | — | — | — |
| P-421m (No. 113) | — | — | — | — | — |
| P-421m (No. 113) | — | — | — | — | — |
| P-421m (No. 113) | — | — | — | — | — |
| P-421m (No. 113) | — | — | — | — | — |
| P-421m (No. 113) | — | — | — | — | — |
| P-421m (No. 113) | — | — | — | — | — |
| P-421m (No. 113) | — | — | — | — | — |
Applications
Where Ca4Co2O14Si4 is used.
Frequently Asked Questions
Common questions about Ca4Co2O14Si4, answered from cross-validated data.
What is Ca4Co2O14Si4?
Ca4Co2O14Si4 is a wide-gap insulating silicate compound that is theoretically stable and potentially synthesizable for advanced research.
What is Ca4Co2O14Si4 used for?
What is the band gap of Ca4Co2O14Si4?
Is Ca4Co2O14Si4 a metal, semiconductor, or insulator?
Is Ca4Co2O14Si4 thermodynamically stable?
What is the crystal structure of Ca4Co2O14Si4?
What is the density of Ca4Co2O14Si4?
How many polymorphs of Ca4Co2O14Si4 are known?
What elements does Ca4Co2O14Si4 contain?
Where does the data for Ca4Co2O14Si4 come from?
How It Compares
As a unique silicate-based compound, Ca4Co2O14Si4 represents a specialized niche within inorganic materials. While it currently stands as a distinct entry without direct structural siblings in this dataset, its insulating nature and proximity to stability make it a valuable reference point for exploring the broader landscape of cobalt-bearing calcium silicates.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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