MgB4
Magnesium tetraboride is a stable, semiconducting inorganic compound composed of magnesium and boron.
About MgB4
Magnesium tetraboride is a distinct member of the metal boride family, characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of boron and magnesium atoms that has garnered significant interest for its structural integrity.
This compound is primarily studied for its potential in specialized electronic and structural applications where the unique bonding environment of boron-rich networks is required. Its stability makes it a compelling candidate for fundamental investigations into the behavior of light-metal borides under varying conditions.
Key Properties
Cross-validated computational properties for MgB4, aggregated across 2 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 MgB4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.36 | 0.0000 | -6.884 | 2.53 |
| P1 (No. 1) | Triclinic | — | — | — | 2.72 |
| Cm (No. 8) | Monoclinic | — | — | — | 1.47 |
| Cm (No. 8) | Monoclinic | — | — | — | 1.31 |
| Cm (No. 8) | Monoclinic | — | — | — | 1.13 |
| P2 (No. 3) | Monoclinic | — | — | — | 2.80 |
| P1 (No. 1) | Triclinic | — | — | — | 2.92 |
| P2/m (No. 10) | Monoclinic | — | — | — | 2.43 |
| Fmmm (No. 69) | Orthorhombic | — | — | — | 2.97 |
| Fmmm (No. 69) | Orthorhombic | — | — | — | 2.80 |
| Fmmm (No. 69) | Orthorhombic | — | — | — | 3.41 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 3.32 |
Applications
Where MgB4 is used.
Frequently Asked Questions
Common questions about MgB4, answered from cross-validated data.
What is MgB4?
Magnesium tetraboride is a stable, semiconducting inorganic compound composed of magnesium and boron.
What is MgB4 used for?
What is the band gap of MgB4?
Is MgB4 a metal, semiconductor, or insulator?
Is MgB4 thermodynamically stable?
What is the crystal structure of MgB4?
What is the density of MgB4?
How many polymorphs of MgB4 are known?
What elements does MgB4 contain?
Where does the data for MgB4 come from?
How It Compares
Within the transition-metal borides class.
Unlike the transition-metal-heavy borides such as BMo or CrB4, which often exhibit metallic conductivity and high hardness, MgB4 distinguishes itself through its semiconducting character. While many members of this class are valued for their refractory properties, MgB4 offers a different electronic profile, providing a unique alternative to the more common molybdenum-based borides within the broader boride material landscape.
Related Compounds
Other Transition-Metal Borides in the database.
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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