LiB13C2
LiB13C2 is a thermodynamically stable, semiconducting ternary boride composed of lithium, boron, and carbon.
About LiB13C2
LiB13C2 is a complex ternary boride characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of lithium, boron, and carbon atoms. Its existence is supported by multiple structural reports across leading materials databases, highlighting its significance in the study of light-element compounds. The material is primarily of interest in fundamental condensed matter physics and materials science research, where the interplay between its specific atomic framework and electronic properties is investigated for potential specialized applications. Its stability suggests it could serve as a durable building block in high-performance structural or electronic systems.
Key Properties
Cross-validated computational properties for LiB13C2, 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.
Reported Structures
Lowest-energy structures reported for LiB13C2, 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. |
|---|---|---|---|---|---|
| Imm2 (No. 44) | orthorhombic | 2.71 | 0.0000 | -6.864 | 2.30 |
| Imma (No. 74) | orthorhombic | 2.65 | 0.0116 | -6.852 | 2.32 |
| Ima2 (No. 46) | — | — | — | — | — |
| Imma (No. 74) | Orthorhombic | — | — | — | 2.30 |
| Imma (No. 74) | Orthorhombic | — | — | — | 2.31 |
| Imma (No. 74) | Orthorhombic | — | — | — | 2.32 |
Applications
Where LiB13C2 is used.
Frequently Asked Questions
Common questions about LiB13C2, answered from cross-validated data.
What is LiB13C2?
LiB13C2 is a thermodynamically stable, semiconducting ternary boride composed of lithium, boron, and carbon.
What is LiB13C2 used for?
What is the band gap of LiB13C2?
Is LiB13C2 a metal, semiconductor, or insulator?
Is LiB13C2 thermodynamically stable?
What is the crystal structure of LiB13C2?
What is the density of LiB13C2?
How many polymorphs of LiB13C2 are known?
What elements does LiB13C2 contain?
Where does the data for LiB13C2 come from?
How It Compares
As a unique ternary compound within the boron-rich landscape, LiB13C2 serves as a specialized example of how lithium integration can stabilize complex borocarbon frameworks. Unlike simpler binary borides, this material occupies a distinct structural niche that emphasizes the versatility of boron-based lattices in maintaining thermodynamic stability while exhibiting semiconducting behavior.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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