CoAs2
Skutterudite · Cobalt diarsenide
Skutterudite is a naturally occurring mineral composed of cobalt and arsenic. It is primarily studied for its unique crystal structure and its potential to function as a high-performance thermoelectric material for energy conversion.
Key Properties
Cross-validated computational properties for Skutterudite, aggregated across 4 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 CoAs2, 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/c (No. 14) | monoclinic | 0.17 | 0.0000 | -14.507 | 7.55 |
| Pnnm (No. 58) | orthorhombic | 0.00 | 0.0197 | -14.487 | 7.54 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 7.65 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.90 |
| C2 (No. 5) | Monoclinic | — | — | — | 7.23 |
| C2 (No. 5) | Monoclinic | — | — | — | 7.09 |
| Cm (No. 8) | Monoclinic | — | — | — | 9.05 |
| P1 (No. 1) | Triclinic | — | — | — | 4.77 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.65 |
| R3m (No. 160) | Trigonal | — | — | — | 6.38 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.33 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.04 |
Applications
Where Skutterudite is used.
Frequently Asked Questions
Common questions about Skutterudite, answered from cross-validated data.
What is CoAs2?
Skutterudite is a naturally occurring mineral composed of cobalt and arsenic. It is primarily studied for its unique crystal structure and its potential to function as a high-performance thermoelectric material for energy conversion.
What is CoAs2 used for?
What is the band gap of CoAs2?
Is CoAs2 a metal, semiconductor, or insulator?
Is CoAs2 thermodynamically stable?
What is the crystal structure of CoAs2?
What is the density of CoAs2?
How many polymorphs of CoAs2 are known?
What elements does CoAs2 contain?
Where does the data for CoAs2 come from?
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze CoAs2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →