C3Os2
C3Os2 is a semiconducting binary compound of carbon and osmium that is currently studied for its diverse structural possibilities.
About C3Os2
C3Os2 is a binary compound composed of carbon and osmium. As a semiconducting material, it represents a specialized intersection of transition metal chemistry and carbon-based structural motifs, drawing interest for its unique electronic configuration.
Due to its position above the thermodynamic hull, this compound is considered potentially unstable under ambient conditions. Its existence in multiple reported structures across various databases highlights its role as a subject of ongoing computational exploration in materials science.
Key Properties
Cross-validated computational properties for C3Os2, 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 C3Os2, 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. |
|---|---|---|---|---|---|
| Pbcn (No. 60) | orthorhombic | 0.08 | 1.1722 | -25.990 | 14.06 |
| P-4c2 (No. 116) | tetragonal | 0.24 | 1.2243 | -25.938 | 13.89 |
| — | — | — | — | — | — |
| P-3m1 (No. 164) | — | — | — | — | — |
| — | — | — | — | — | 13.13 |
| R-3m (No. 166) | — | — | — | — | — |
Frequently Asked Questions
Common questions about C3Os2, answered from cross-validated data.
What is C3Os2?
C3Os2 is a semiconducting binary compound of carbon and osmium that is currently studied for its diverse structural possibilities.
What is the band gap of C3Os2?
Is C3Os2 a metal, semiconductor, or insulator?
Is C3Os2 thermodynamically stable?
What is the crystal structure of C3Os2?
What is the density of C3Os2?
How many polymorphs of C3Os2 are known?
What elements does C3Os2 contain?
Where does the data for C3Os2 come from?
How It Compares
As a unique binary phase in the carbon-osmium system, C3Os2 occupies a distinct niche where its semiconducting nature sets it apart from more conventional metallic or insulating binary compounds. It serves as a primary example of how complex carbon-metal architectures can be theoretically mapped even when thermodynamic stability remains a significant challenge.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- 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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