MgO12Rb2Si5
MgO12Rb2Si5 is a thermodynamically stable, insulating complex oxide containing magnesium, rubidium, and silicon.
About MgO12Rb2Si5
MgO12Rb2Si5 is a complex inorganic compound composed of magnesium, oxygen, rubidium, and silicon. Its electronic structure is characterized by a wide band gap, classifying it as an insulator that is highly resistant to electrical conduction. This material is notable for its thermodynamic stability, as it exists on the convex hull, indicating a robust structural configuration under standard conditions. The presence of multiple reported structures suggests a versatile atomic arrangement that may be leveraged in specialized material design. As a stable insulator, it holds potential for applications requiring dielectric performance or structural integrity in harsh environments where thermal or electrical stability is paramount. Its unique elemental composition allows for complex bonding networks that distinguish it from simpler binary oxides.
Key Properties
Cross-validated computational properties for MgO12Rb2Si5, 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 MgO12Rb2Si5. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for MgO12Rb2Si5, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for MgO12Rb2Si5, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 4.78 | 0.0000 | -7.633 | 2.69 |
| Pbca (No. 61) | orthorhombic | 4.18 | 0.0166 | -7.616 | 2.73 |
| Pbca (No. 61) | orthorhombic | — | — | — | 2.84 |
| — | — | — | — | — | — |
Applications
Where MgO12Rb2Si5 is used.
Frequently Asked Questions
Common questions about MgO12Rb2Si5, answered from cross-validated data.
What is MgO12Rb2Si5?
MgO12Rb2Si5 is a thermodynamically stable, insulating complex oxide containing magnesium, rubidium, and silicon.
What is MgO12Rb2Si5 used for?
What is the band gap of MgO12Rb2Si5?
Is MgO12Rb2Si5 a metal, semiconductor, or insulator?
Is MgO12Rb2Si5 thermodynamically stable?
What is the crystal structure of MgO12Rb2Si5?
What is the density of MgO12Rb2Si5?
How many polymorphs of MgO12Rb2Si5 are known?
What elements does MgO12Rb2Si5 contain?
Where does the data for MgO12Rb2Si5 come from?
How It Compares
As a thermodynamically stable insulator, MgO12Rb2Si5 represents a specialized complex oxide system. While many related silicate or rubidium-based materials are studied for their ionic transport or catalytic properties, this compound is primarily defined by its structural stability and insulating nature, positioning it as a candidate for stable dielectric applications within its class.
Data sources & attribution
- 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)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
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