RuC
Ruthenium carbide
Ruthenium carbide is a binary inorganic compound composed of ruthenium and carbon. It is primarily studied for its potential as a hard material and for its catalytic properties in chemical synthesis.
CRu
Overview
Key Properties
Cross-validated computational properties for RuC, 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.
0.66 eV
Range across DFT structures
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.
0.366 eV/atom
Best (lowest) across sources
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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
552
3 databases, 51 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for RuC, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.00 | 0.3661 | -17.320 | 8.89 |
| F-43m (No. 216) | cubic | 0.66 | 0.4538 | -17.232 | 7.89 |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.6494 | -17.036 | 9.38 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.9097 | -16.776 | 9.30 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 8.82 |
| P-1 (No. 2) | Triclinic | — | — | — | 10.27 |
| P2/c (No. 13) | Monoclinic | — | — | — | 5.95 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 8.57 |
| P1 (No. 1) | Triclinic | — | — | — | 6.38 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 8.06 |
| Cm (No. 8) | Monoclinic | — | — | — | 8.78 |
| P21/m (No. 11) | Monoclinic | — | — | — | 9.96 |
Uses
Applications
Where RuC is used.
CatalysisHard material researchSurface science studies
Reference
Frequently Asked Questions
Common questions about RuC, answered from cross-validated data.
What is RuC?
Ruthenium carbide is a binary inorganic compound composed of ruthenium and carbon. It is primarily studied for its potential as a hard material and for its catalytic properties in chemical synthesis.
More questions
What is RuC used for?
RuC is used in catalysis, hard material research, and surface science studies.
What is the band gap of RuC?
RuC has a DFT-computed band gap of 0.66 eV across 552 reported structures.
Is RuC a metal, semiconductor, or insulator?
With a band gap up to 0.66 eV it is a semiconductor.
Is RuC thermodynamically stable?
RuC has a lowest energy above hull of 0.366 eV/atom (above hull).
What is the crystal structure of RuC?
The lowest-energy reported polymorph of RuC is trigonal symmetry, space group R-3m (No. 166).
What is the density of RuC?
The computed density of the ground-state structure of RuC is 8.89 g/cm³.
How many polymorphs of RuC are known?
552 structures of RuC are reported across 3 databases, spanning 51 distinct space groups.
What elements does RuC contain?
RuC contains C and Ru (2 elements).
Where does the data for RuC come from?
RuC data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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