C2Rh2
C2Rh2 is a metallic rhodium carbide compound known for its extensive structural diversity despite being thermodynamically unstable.
About C2Rh2
C2Rh2 is a metallic rhodium-carbon compound that exhibits significant structural complexity. As a transition metal carbide, it represents a unique intersection of noble metal chemistry and interstitial carbon bonding, characterized by its metallic electronic nature.
Despite its thermodynamic instability relative to the ground state, this compound is notable for its high degree of structural variety. It serves as a subject of interest in high-pressure research and materials science studies investigating carbon-metal interactions.
Key Properties
Cross-validated computational properties for C2Rh2, 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 C2Rh2, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.00 | 0.5607 | -16.481 | 7.83 |
| Fm-3m (No. 225) | cubic | 0.00 | 1.1017 | -15.940 | 9.24 |
| P4/nmm (No. 129) | — | — | — | — | — |
| Pmmn (No. 59) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| Pmmn (No. 59) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Pmma (No. 51) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Imma (No. 74) | — | — | — | — | — |
Applications
Where C2Rh2 is used.
Frequently Asked Questions
Common questions about C2Rh2, answered from cross-validated data.
What is C2Rh2?
C2Rh2 is a metallic rhodium carbide compound known for its extensive structural diversity despite being thermodynamically unstable.
What is C2Rh2 used for?
What is the band gap of C2Rh2?
Is C2Rh2 a metal, semiconductor, or insulator?
Is C2Rh2 thermodynamically stable?
What is the crystal structure of C2Rh2?
What is the density of C2Rh2?
How many polymorphs of C2Rh2 are known?
What elements does C2Rh2 contain?
Where does the data for C2Rh2 come from?
How It Compares
As a metastable phase, C2Rh2 occupies a distinct position within the landscape of rhodium-based carbides, where it is defined by its structural polymorphism rather than thermodynamic equilibrium.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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