MgTiSiO5
MgTiSiO5 is a metastable, wide-gap insulating material composed of magnesium, titanium, silicon, and oxygen.
About MgTiSiO5
MgTiSiO5 is a complex inorganic compound composed of magnesium, titanium, silicon, and oxygen. As a wide-gap insulator, it exhibits electronic properties characteristic of dielectric materials, making it a subject of interest for fundamental studies in solid-state chemistry.
Although it is classified as a metastable phase, the existence of multiple reported structures across various databases highlights its significance in exploring diverse atomic arrangements. Its unique elemental combination allows researchers to investigate how titanium and magnesium interact within a silicate framework.
Key Properties
Cross-validated computational properties for MgTiSiO5, 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 MgTiSiO5, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 2.89 | 0.0688 | -8.228 | 3.43 |
| Cc (No. 9) | monoclinic | 3.00 | 0.0925 | -8.204 | 3.36 |
| P1 (No. 1) | — | — | — | — | — |
| P1 (No. 1) | — | — | — | — | — |
| Cc (No. 9) | Monoclinic | — | — | — | 3.53 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.36 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.44 |
Frequently Asked Questions
Common questions about MgTiSiO5, answered from cross-validated data.
What is MgTiSiO5?
MgTiSiO5 is a metastable, wide-gap insulating material composed of magnesium, titanium, silicon, and oxygen.
What is the band gap of MgTiSiO5?
Is MgTiSiO5 a metal, semiconductor, or insulator?
Is MgTiSiO5 thermodynamically stable?
What is the crystal structure of MgTiSiO5?
What is the density of MgTiSiO5?
How many polymorphs of MgTiSiO5 are known?
What elements does MgTiSiO5 contain?
Where does the data for MgTiSiO5 come from?
How It Compares
As a distinct inorganic compound, MgTiSiO5 occupies a unique niche within its material class. Without direct structural siblings for comparison, it serves as a critical reference point for understanding the stability and electronic behavior of complex magnesium-titanium silicates in synthetic environments.
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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