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.

BCMg
Overview

Key Properties

Cross-validated computational properties for MgBC, aggregated across 4 databases.

Band Gap

1.33–1.60 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

7
4 databases, 6 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for MgBC, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Cmce (No. 64)orthorhombic1.330.0000-7.9802.75
Pnnm (No. 58)orthorhombic1.600.0046-7.9752.85
P2/m (No. 10)Monoclinic2.27
Pmma (No. 51)Orthorhombic2.63
Pmma (No. 51)Orthorhombic2.60
P-6m2 (No. 187)
No. 0unknown2.72
Uses

Applications

Where MgBC is used.

Materials science researchSolid-state chemistry studies
Reference

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.

More questions
What is MgBC used for?
MgBC is used in materials science research and solid-state chemistry studies.
What is the band gap of MgBC?
MgBC has a DFT-computed band gap of 1.33–1.60 eV across 7 reported structures.
Is MgBC a metal, semiconductor, or insulator?
With a band gap up to 1.60 eV it is a semiconductor.
Is MgBC thermodynamically stable?
Yes — MgBC sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of MgBC?
The lowest-energy reported polymorph of MgBC is orthorhombic symmetry, space group Cmce (No. 64).
What is the density of MgBC?
The computed density of the ground-state structure of MgBC is 2.75 g/cm³.
How many polymorphs of MgBC are known?
7 structures of MgBC are reported across 4 databases, spanning 6 distinct space groups.
What elements does MgBC contain?
MgBC contains B, C, and Mg (3 elements).
Where does the data for MgBC come from?
MgBC data is cross-referenced from materials_project, mpaloe, jarvis, cod.
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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