MgTi2ZnO6
This complex oxide is a ceramic material characterized by its specific crystalline structure. It is primarily investigated for its potential utility in advanced electronic components and as a dielectric material.
MgOTiZn
Overview
Key Properties
Cross-validated computational properties for MgTi2ZnO6, 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.
3.19 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.
0.016 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.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for MgTi2ZnO6, 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. |
|---|---|---|---|---|---|
| R3 (No. 146) | trigonal | 3.19 | 0.0163 | -7.917 | 4.40 |
| R3 (No. 146) | — | — | — | — | — |
| R3 (No. 146) | Trigonal | — | — | — | 4.52 |
| R3 (No. 146) | Trigonal | — | — | — | 4.40 |
| R3 (No. 146) | Trigonal | — | — | — | 4.64 |
Uses
Applications
Where MgTi2ZnO6 is used.
dielectric resonatorsmicrowave communication devicesceramic capacitors
Reference
Frequently Asked Questions
Common questions about MgTi2ZnO6, answered from cross-validated data.
What is MgTi2ZnO6?
This complex oxide is a ceramic material characterized by its specific crystalline structure. It is primarily investigated for its potential utility in advanced electronic components and as a dielectric material.
What is MgTi2ZnO6 used for?
MgTi2ZnO6 is used in dielectric resonators, microwave communication devices, and ceramic capacitors.
What is the band gap of MgTi2ZnO6?
MgTi2ZnO6 has a DFT-computed band gap of 3.19 eV across 5 reported structures.
Is MgTi2ZnO6 a metal, semiconductor, or insulator?
With a wide band gap up to 3.19 eV it is an insulator / wide-band-gap material.
Is MgTi2ZnO6 thermodynamically stable?
MgTi2ZnO6 has a lowest energy above hull of 0.016 eV/atom (near hull (likely stable)).
What is the crystal structure of MgTi2ZnO6?
The lowest-energy reported polymorph of MgTi2ZnO6 is trigonal symmetry, space group R3 (No. 146).
What is the density of MgTi2ZnO6?
The computed density of the ground-state structure of MgTi2ZnO6 is 4.40 g/cm³.
How many polymorphs of MgTi2ZnO6 are known?
5 structures of MgTi2ZnO6 are reported across 3 databases, spanning 1 distinct space group.
What elements does MgTi2ZnO6 contain?
MgTi2ZnO6 contains Mg, O, Ti, and Zn (4 elements).
Where does the data for MgTi2ZnO6 come from?
MgTi2ZnO6 data is cross-referenced from materials_project, jarvis, mpaloe.
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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