MgBC
Magnesium boron carbide is a ternary inorganic compound that has been studied for its structural and electronic properties. It is primarily utilized in materials science research to explore the behavior of light-element compounds in extreme conditions.
Key Properties
Cross-validated computational properties for MgBC, 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 MgBC, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 1.33 | 0.0000 | -7.980 | 2.75 |
| Pnnm (No. 58) | orthorhombic | 1.60 | 0.0046 | -7.975 | 2.85 |
| P2/m (No. 10) | Monoclinic | — | — | — | 2.27 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 2.63 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 2.60 |
| P-6m2 (No. 187) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 2.72 |
Applications
Where MgBC is used.
Frequently Asked Questions
Common questions about MgBC, answered from cross-validated data.
What is MgBC?
Magnesium boron carbide is a ternary inorganic compound that has been studied for its structural and electronic properties. It is primarily utilized in materials science research to explore the behavior of light-element compounds in extreme conditions.
What is MgBC used for?
What is the band gap of MgBC?
Is MgBC a metal, semiconductor, or insulator?
Is MgBC thermodynamically stable?
What is the crystal structure of MgBC?
What is the density of MgBC?
How many polymorphs of MgBC are known?
What elements does MgBC contain?
Where does the data for MgBC come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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