MnBO3
Manganese borate is a chemical compound composed of manganese, boron, and oxygen. It is primarily studied for its structural properties and potential utility in specialized ceramic or magnetic material research.
Overview
Key Properties
Cross-validated computational properties for MnBO3, 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.
0.57–1.33 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.
0.020 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
16
3 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MnBO3, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 1.33 | 0.0204 | -8.546 | 4.17 |
| P-1 (No. 2) | triclinic | 0.60 | 0.0323 | -8.534 | 3.97 |
| R-3c (No. 167) | trigonal | 0.00 | 0.0444 | -8.522 | 3.97 |
| P-6 (No. 174) | hexagonal | 0.57 | 0.2258 | -8.340 | 3.02 |
| Pm-3m (No. 221) | cubic | 0.00 | 1.0810 | -7.485 | 4.82 |
| R-3c (No. 167) | — | — | — | — | — |
| P-6 (No. 174) | — | — | — | — | — |
| R-3c (No. 167) | Trigonal | — | — | — | 4.31 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.97 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.29 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.97 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.11 |
Uses
Applications
Where MnBO3 is used.
Materials science researchCeramic developmentMagnetic property studies
Reference
Frequently Asked Questions
Common questions about MnBO3, answered from cross-validated data.
What is MnBO3?
Manganese borate is a chemical compound composed of manganese, boron, and oxygen. It is primarily studied for its structural properties and potential utility in specialized ceramic or magnetic material research.
More questions
What is MnBO3 used for?
MnBO3 is used in materials science research, ceramic development, and magnetic property studies.
What is the band gap of MnBO3?
MnBO3 has a DFT-computed band gap of 0.57–1.33 eV across 16 reported structures.
Is MnBO3 a metal, semiconductor, or insulator?
With a band gap up to 1.33 eV it is a semiconductor.
Is MnBO3 thermodynamically stable?
MnBO3 has a lowest energy above hull of 0.020 eV/atom (near hull (likely stable)).
What is the crystal structure of MnBO3?
The lowest-energy reported polymorph of MnBO3 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of MnBO3?
The computed density of the ground-state structure of MnBO3 is 4.17 g/cm³.
How many polymorphs of MnBO3 are known?
16 structures of MnBO3 are reported across 3 databases, spanning 5 distinct space groups.
What elements does MnBO3 contain?
MnBO3 contains B, Mn, and O (3 elements).
Where does the data for MnBO3 come from?
MnBO3 data is cross-referenced from materials_project, jarvis, mpaloe.
Explore
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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