YbC2
YbC2 is a thermodynamically stable semiconducting ytterbium carbide used in fundamental materials research.
About YbC2
YbC2 is a binary carbide composed of ytterbium and carbon. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions. Its electronic character is defined as semiconducting, distinguishing it from metallic or insulating alternatives within the broader family of rare-earth carbides.
This compound is of significant interest in materials science due to its structural versatility, as evidenced by the numerous reported configurations across multiple databases. Its ability to adopt different structural motifs makes it a compelling subject for studies regarding phase stability and electronic behavior in lanthanide-based carbon systems.
Key Properties
Cross-validated computational properties for YbC2, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of YbC2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for YbC2, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 1.04 | 0.0000 | -19.185 | 8.49 |
| I4/mmm (No. 139) | tetragonal | 1.14 | 0.0227 | -0.239 | — |
| — | — | 1.72 | 0.0541 | -0.065 | — |
| — | — | 1.12 | 0.0581 | -0.061 | — |
| — | — | 0.00 | 1.7858 | 1.667 | — |
| — | — | 0.00 | 4.0927 | 3.974 | — |
| P1 (No. 1) | triclinic | — | — | — | 4.30 |
| P-1 (No. 2) | triclinic | — | — | — | 4.51 |
| C2 (No. 5) | monoclinic | — | — | — | 5.52 |
| P-1 (No. 2) | triclinic | — | — | — | 5.44 |
| C2/m (No. 12) | monoclinic | — | — | — | 5.14 |
| Cm (No. 8) | monoclinic | — | — | — | 5.45 |
Applications
Where YbC2 is used.
Frequently Asked Questions
Common questions about YbC2, answered from cross-validated data.
What is YbC2?
YbC2 is a thermodynamically stable semiconducting ytterbium carbide used in fundamental materials research.
What is YbC2 used for?
What is the band gap of YbC2?
Is YbC2 a metal, semiconductor, or insulator?
Is YbC2 thermodynamically stable?
What is the crystal structure of YbC2?
What is the density of YbC2?
How many polymorphs of YbC2 are known?
What elements does YbC2 contain?
Where does the data for YbC2 come from?
How It Compares
As a stable semiconducting carbide, YbC2 occupies a unique niche in the landscape of rare-earth dicarbides. While many members of this class exhibit metallic behavior, the semiconducting nature of this compound offers distinct pathways for specialized electronic applications where traditional metallic carbides may be less suitable.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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