BC
BC is a metallic boron-carbon compound that exists as a metastable phase within the class of carbide hard materials.
About BC
BC is a metallic carbide composed of boron and carbon. Its electronic character distinguishes it from many traditional insulating or semiconducting carbides, placing it in a unique category within the broader family of hard materials. Despite its structural complexity, it remains a subject of intense investigation due to its distinct bonding nature.
Because it sits above the thermodynamic hull, BC is considered a metastable phase. Its extensive documentation across multiple materials databases highlights its significance in theoretical studies, where researchers aim to understand the formation and potential utility of such complex carbide structures.
Key Properties
Cross-validated computational properties for BC, aggregated across 5 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 BC. 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 BC, 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. |
|---|---|---|---|---|---|
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.3965 | 0.339 | — |
| P63mc (No. 186) | hexagonal | 0.00 | 0.4804 | 0.422 | — |
| — | — | 0.00 | 0.5183 | 0.476 | — |
| P63mc (No. 186) | hexagonal | 0.00 | 0.5626 | -8.166 | 2.80 |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.6601 | -8.068 | 0.88 |
| — | — | 0.00 | 1.4627 | 1.420 | — |
| — | — | 0.00 | 1.4627 | 1.420 | — |
| — | — | 0.00 | 2.3684 | 2.326 | — |
| — | — | 0.00 | 2.8971 | 2.855 | — |
| — | — | 0.00 | 2.9363 | 2.894 | — |
| P4mm (No. 99) | tetragonal | 1.58 | 4.8189 | 4.761 | — |
| P1 (No. 1) | triclinic | — | — | — | 3.14 |
Applications
Where BC is used.
Frequently Asked Questions
Common questions about BC, answered from cross-validated data.
What is BC?
BC is a metallic boron-carbon compound that exists as a metastable phase within the class of carbide hard materials.
What is BC used for?
What is the band gap of BC?
Is BC a metal, semiconductor, or insulator?
Is BC thermodynamically stable?
What is the crystal structure of BC?
How many polymorphs of BC are known?
What elements does BC contain?
Where does the data for BC come from?
How It Compares
Within the carbide hard materials class.
Unlike the highly stable and widely utilized SiC, which serves as a benchmark for industrial hardness and thermal resistance, BC is a metastable metallic phase. While compounds like ZrC and HfC are prized for their extreme refractory properties, BC offers a different electronic profile that contrasts with the more conventional carbide ceramics in this class.
Related Compounds
Other Carbide Hard Materials in the database.
Data sources & attribution
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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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