Co4P4Si4
Co4P4Si4 is a semiconducting ternary compound and a potential candidate for thermoelectric applications within the skutterudite materials family.
About Co4P4Si4
Co4P4Si4 is a semiconducting compound belonging to the broader family of skutterudite-related materials. Its electronic structure and composition suggest it is a promising candidate for specialized thermoelectric energy conversion applications where efficient heat-to-electricity management is required.
As a near-hull phase, this material is considered highly likely to be synthesizable under laboratory conditions. Its structural characteristics, supported by multiple entries across materials databases, position it as a noteworthy subject for researchers investigating complex ternary phosphide-silicide systems.
Key Properties
Cross-validated computational properties for Co4P4Si4, 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 Co4P4Si4, 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. |
|---|---|---|---|---|---|
| P21 (No. 4) | monoclinic | 1.26 | 0.0045 | -9.811 | 4.21 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 3.94 |
| — | — | — | — | — | 4.30 |
| — | — | — | — | — | 3.31 |
| — | — | — | — | — | 3.63 |
| — | — | — | — | — | 4.32 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where Co4P4Si4 is used.
Frequently Asked Questions
Common questions about Co4P4Si4, answered from cross-validated data.
What is Co4P4Si4?
Co4P4Si4 is a semiconducting ternary compound and a potential candidate for thermoelectric applications within the skutterudite materials family.
What is Co4P4Si4 used for?
What is the band gap of Co4P4Si4?
Is Co4P4Si4 a metal, semiconductor, or insulator?
Is Co4P4Si4 thermodynamically stable?
What is the crystal structure of Co4P4Si4?
What is the density of Co4P4Si4?
How many polymorphs of Co4P4Si4 are known?
What elements does Co4P4Si4 contain?
Where does the data for Co4P4Si4 come from?
How It Compares
Within the skutterudite thermoelectrics class.
Within the diverse landscape of phosphide-based materials, Co4P4Si4 occupies a distinct niche compared to simpler binary systems like FeP or NiP2. While many of its siblings in the skutterudite and pnictide classes are well-characterized binary compounds, Co4P4Si4 represents a more complex ternary arrangement that leverages the interplay between cobalt, phosphorus, and silicon to tune its semiconducting properties.
Related Compounds
Other Skutterudite Thermoelectrics in the database.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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