Mg2BO4
Magnesium borate is a synthetic inorganic compound often utilized in materials science research. It is primarily studied for its structural properties and potential utility in specialized ceramic or luminescent applications.
BMgO
Overview
Key Properties
Cross-validated computational properties for Mg2BO4, 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.
0.27 eV
Range across DFT structures
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.
0.057 eV/atom
Best (lowest) across sources
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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Mg2BO4, 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 | 0.27 | 0.0569 | -7.004 | 2.89 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 2.89 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.02 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 2.96 |
| Pnma (No. 62) | — | — | — | — | — |
Uses
Applications
Where Mg2BO4 is used.
Ceramic materials researchLuminescent material developmentSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Mg2BO4, answered from cross-validated data.
What is Mg2BO4?
Magnesium borate is a synthetic inorganic compound often utilized in materials science research. It is primarily studied for its structural properties and potential utility in specialized ceramic or luminescent applications.
More questions
What is Mg2BO4 used for?
Mg2BO4 is used in ceramic materials research, luminescent material development, and solid-state chemistry studies.
What is the band gap of Mg2BO4?
Mg2BO4 has a DFT-computed band gap of 0.27 eV across 5 reported structures.
Is Mg2BO4 a metal, semiconductor, or insulator?
With a band gap up to 0.27 eV it is a semiconductor.
Is Mg2BO4 thermodynamically stable?
Mg2BO4 has a lowest energy above hull of 0.057 eV/atom (metastable).
What is the crystal structure of Mg2BO4?
The lowest-energy reported polymorph of Mg2BO4 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of Mg2BO4?
The computed density of the ground-state structure of Mg2BO4 is 2.89 g/cm³.
How many polymorphs of Mg2BO4 are known?
5 structures of Mg2BO4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Mg2BO4 contain?
Mg2BO4 contains B, Mg, and O (3 elements).
Where does the data for Mg2BO4 come from?
Mg2BO4 data is cross-referenced from materials_project, mpaloe, jarvis.
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).
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