Mg2B2O5
suanite · magnesium pyroborate
Suanite is a stable magnesium borate mineral used primarily in materials science research and geological studies.
About suanite
Suanite is a magnesium borate compound that exists as a thermodynamically stable phase on the convex hull. As a wide-gap insulator, it exhibits robust electronic characteristics that make it a subject of interest in solid-state chemistry and materials research.
With multiple reported structures, this compound serves as a key reference point for understanding magnesium-based borate frameworks. Its stability and structural diversity provide essential data for researchers exploring the synthesis and phase behavior of complex inorganic oxides.
Key Properties
Cross-validated computational properties for suanite, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Mg2B2O5. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Mg2B2O5, 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. |
|---|---|---|---|---|---|
| — | — | 5.58 | 0.0000 | -2.880 | — |
| P-1 (No. 2) | triclinic | 5.56 | 0.0000 | -2.855 | — |
| P21/c (No. 14) | monoclinic | 5.15 | 0.0000 | -7.611 | 2.93 |
| P-1 (No. 2) | triclinic | 5.09 | 0.0004 | -7.610 | 2.93 |
| — | — | 5.47 | 0.0004 | -2.879 | — |
| P21/c (No. 14) | monoclinic | 5.59 | 0.0019 | -2.853 | — |
| P21/c (No. 14) | monoclinic | 5.14 | 0.0021 | -7.609 | 2.92 |
| — | — | 5.56 | 0.0023 | -2.878 | — |
| — | — | 1.59 | 0.9468 | -1.933 | — |
| — | — | 0.00 | 2.3326 | -0.547 | — |
| P-1 (No. 2) | triclinic | — | — | — | 2.91 |
| P21/c (No. 14) | monoclinic | — | — | — | 2.91 |
Applications
Where suanite is used.
Frequently Asked Questions
Common questions about suanite, answered from cross-validated data.
What is Mg2B2O5?
Suanite is a stable magnesium borate mineral used primarily in materials science research and geological studies.
What is Mg2B2O5 used for?
What is the band gap of Mg2B2O5?
Is Mg2B2O5 a metal, semiconductor, or insulator?
Is Mg2B2O5 thermodynamically stable?
What is the crystal structure of Mg2B2O5?
What is the density of Mg2B2O5?
How many polymorphs of Mg2B2O5 are known?
What elements does Mg2B2O5 contain?
Where does the data for Mg2B2O5 come from?
How It Compares
As a stable magnesium borate, this compound serves as a foundational member of its chemical family, representing a well-defined structural arrangement that informs the broader study of metal-borate systems.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze Mg2B2O5 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →