MgBO4
MgBO4 is a semimetallic magnesium borate compound that exists in a metastable state.
About MgBO4
MgBO4 is a complex magnesium borate compound characterized by its near-zero-gap electronic structure. This semimetallic behavior suggests unique charge transport properties that distinguish it from typical insulating borate minerals.
Due to its position above the thermodynamic hull, this material is considered metastable or unstable under standard conditions. Its status as an emerging phase in the boron-magnesium-oxygen system makes it a subject of interest for fundamental studies in solid-state chemistry and materials synthesis.
Key Properties
Cross-validated computational properties for MgBO4, 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 MgBO4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.05 | 0.6151 | -6.178 | 1.87 |
| P21/c (No. 14) | monoclinic | 0.02 | 1.0252 | -5.768 | 2.28 |
| No. 0 | unknown | — | — | — | 0.35 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.79 |
| P1 (No. 1) | Triclinic | — | — | — | 2.75 |
| P1 (No. 1) | Triclinic | — | — | — | 2.75 |
Frequently Asked Questions
Common questions about MgBO4, answered from cross-validated data.
What is MgBO4?
MgBO4 is a semimetallic magnesium borate compound that exists in a metastable state.
What is the band gap of MgBO4?
Is MgBO4 a metal, semiconductor, or insulator?
Is MgBO4 thermodynamically stable?
What is the crystal structure of MgBO4?
What is the density of MgBO4?
How many polymorphs of MgBO4 are known?
What elements does MgBO4 contain?
Where does the data for MgBO4 come from?
How It Compares
As a unique phase within the magnesium borate family, MgBO4 represents a specialized composition that lacks direct structural analogs in this specific grouping. Its semimetallic nature sets it apart from the more common, wide-gap insulating borates typically found in this chemical space.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
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