TiZn2O4
zinc orthotitanate · zinc titanate
Zinc orthotitanate is a ceramic material known for its stability and reflective properties. It is primarily utilized in specialized coatings and as a precursor in the synthesis of advanced electronic components.
Overview
Key Properties
Cross-validated computational properties for zinc orthotitanate, 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.
1.43–2.31 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.
0.030 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.
12
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for TiZn2O4, 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. |
|---|---|---|---|---|---|
| P4122 (No. 91) | tetragonal | 2.31 | 0.0300 | -6.812 | 5.13 |
| P4322 (No. 95) | tetragonal | 2.31 | 0.0301 | -6.812 | 5.14 |
| C2 (No. 5) | monoclinic | 2.09 | 0.0339 | -6.808 | 5.12 |
| Imma (No. 74) | orthorhombic | 1.43 | 0.0471 | -6.795 | 5.13 |
| P4322 (No. 95) | tetragonal | 1.85 | 0.2895 | -6.553 | 3.40 |
| P4122 (No. 91) | Tetragonal | — | — | — | 5.13 |
| P4122 (No. 91) | Tetragonal | — | — | — | 5.46 |
| P4122 (No. 91) | Tetragonal | — | — | — | 5.30 |
| Imma (No. 74) | Orthorhombic | — | — | — | 5.13 |
| Imma (No. 74) | Orthorhombic | — | — | — | 5.45 |
| P4322 (No. 95) | — | — | — | — | — |
| Imma (No. 74) | Orthorhombic | — | — | — | 5.29 |
Uses
Applications
Where zinc orthotitanate is used.
thermal control coatings for spacecraftpigmentscatalysisdielectric materials
Reference
Frequently Asked Questions
Common questions about zinc orthotitanate, answered from cross-validated data.
What is TiZn2O4?
Zinc orthotitanate is a ceramic material known for its stability and reflective properties. It is primarily utilized in specialized coatings and as a precursor in the synthesis of advanced electronic components.
More questions
What is TiZn2O4 used for?
zinc orthotitanate (TiZn2O4) is used in thermal control coatings for spacecraft, pigments, catalysis, and dielectric materials.
What is the band gap of TiZn2O4?
zinc orthotitanate (TiZn2O4) has a DFT-computed band gap of 1.43–2.31 eV across 12 reported structures.
Is TiZn2O4 a metal, semiconductor, or insulator?
With a band gap up to 2.31 eV it is a semiconductor.
Is TiZn2O4 thermodynamically stable?
zinc orthotitanate (TiZn2O4) has a lowest energy above hull of 0.030 eV/atom (metastable).
What is the crystal structure of TiZn2O4?
The lowest-energy reported polymorph of zinc orthotitanate (TiZn2O4) is tetragonal symmetry, space group P4122 (No. 91).
What is the density of TiZn2O4?
The computed density of the ground-state structure of zinc orthotitanate (TiZn2O4) is 5.13 g/cm³.
How many polymorphs of TiZn2O4 are known?
12 structures of TiZn2O4 are reported across 3 databases, spanning 4 distinct space groups.
What elements does TiZn2O4 contain?
zinc orthotitanate (TiZn2O4) contains O, Ti, and Zn (3 elements).
Where does the data for TiZn2O4 come from?
TiZn2O4 data is cross-referenced from materials_project, mpaloe, jarvis.
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Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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