MgTi4O8
Magnesium tetratitanate is a complex oxide ceramic material belonging to the magnesium-titanium-oxygen system. It is primarily investigated for its dielectric properties and potential utility in advanced electronic components.
MgOTi
Overview
Key Properties
Cross-validated computational properties for MgTi4O8, 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.
0.11–0.39 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.
0.044 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.
84
3 databases, 14 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MgTi4O8, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.00 | 0.0437 | -8.936 | 3.72 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.0774 | -8.902 | 4.06 |
| Pm (No. 6) | monoclinic | 0.00 | 0.0819 | -8.898 | 3.91 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0906 | -8.889 | 3.66 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0993 | -8.880 | 3.59 |
| R3m (No. 160) | trigonal | 0.00 | 0.1021 | -8.877 | 3.75 |
| R-3m (No. 166) | trigonal | 0.00 | 0.1023 | -8.877 | 3.80 |
| Cm (No. 8) | monoclinic | 0.00 | 0.1171 | -8.862 | 3.99 |
| Pm (No. 6) | monoclinic | 0.00 | 0.1172 | -8.862 | 3.82 |
| R-3m (No. 166) | trigonal | 0.00 | 0.1189 | -8.861 | 3.71 |
| P1 (No. 1) | triclinic | 0.00 | 0.1202 | -8.859 | 4.22 |
| R3m (No. 160) | trigonal | 0.00 | 0.1219 | -8.858 | 3.71 |
Uses
Applications
Where MgTi4O8 is used.
Dielectric resonatorsMicrowave communication devicesCeramic capacitor development
Reference
Frequently Asked Questions
Common questions about MgTi4O8, answered from cross-validated data.
What is MgTi4O8?
Magnesium tetratitanate is a complex oxide ceramic material belonging to the magnesium-titanium-oxygen system. It is primarily investigated for its dielectric properties and potential utility in advanced electronic components.
More questions
What is MgTi4O8 used for?
MgTi4O8 is used in dielectric resonators, microwave communication devices, and ceramic capacitor development.
What is the band gap of MgTi4O8?
MgTi4O8 has a DFT-computed band gap of 0.11–0.39 eV across 84 reported structures.
Is MgTi4O8 a metal, semiconductor, or insulator?
With a band gap up to 0.39 eV it is a semiconductor.
Is MgTi4O8 thermodynamically stable?
MgTi4O8 has a lowest energy above hull of 0.044 eV/atom (metastable).
What is the crystal structure of MgTi4O8?
The lowest-energy reported polymorph of MgTi4O8 is cubic symmetry, space group F-43m (No. 216).
What is the density of MgTi4O8?
The computed density of the ground-state structure of MgTi4O8 is 3.72 g/cm³.
How many polymorphs of MgTi4O8 are known?
84 structures of MgTi4O8 are reported across 3 databases, spanning 14 distinct space groups.
What elements does MgTi4O8 contain?
MgTi4O8 contains Mg, O, and Ti (3 elements).
Where does the data for MgTi4O8 come from?
MgTi4O8 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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