Ge2O6Ti2
This compound is a complex oxide containing germanium and titanium. It is primarily studied for its structural properties and potential utility in advanced materials research, particularly within the field of solid-state chemistry.
GeOTi
Overview
Key Properties
Cross-validated computational properties for Ge2O6Ti2, aggregated across 2 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.
1.13–3.21 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.
0.069 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
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
13
2 databases, 8 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ge2O6Ti2, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 1.13 | 0.0688 | -8.156 | 3.93 |
| C2/c (No. 15) | monoclinic | 3.13 | 0.0831 | -7.727 | 4.17 |
| P21/c (No. 14) | monoclinic | 3.21 | 0.0834 | -7.727 | 4.13 |
| R-3c (No. 167) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| Fmmm (No. 69) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
Uses
Applications
Where Ge2O6Ti2 is used.
Materials science researchSolid-state chemistry studiesCrystal structure analysis
Reference
Frequently Asked Questions
Common questions about Ge2O6Ti2, answered from cross-validated data.
What is Ge2O6Ti2?
This compound is a complex oxide containing germanium and titanium. It is primarily studied for its structural properties and potential utility in advanced materials research, particularly within the field of solid-state chemistry.
More questions
What is Ge2O6Ti2 used for?
Ge2O6Ti2 is used in materials science research, solid-state chemistry studies, and crystal structure analysis.
What is the band gap of Ge2O6Ti2?
Ge2O6Ti2 has a DFT-computed band gap of 1.13–3.21 eV across 13 reported structures.
Is Ge2O6Ti2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.21 eV it is an insulator / wide-band-gap material.
Is Ge2O6Ti2 thermodynamically stable?
Ge2O6Ti2 has a lowest energy above hull of 0.069 eV/atom (metastable).
What is the crystal structure of Ge2O6Ti2?
The lowest-energy reported polymorph of Ge2O6Ti2 is trigonal symmetry, space group R-3 (No. 148).
What is the density of Ge2O6Ti2?
The computed density of the ground-state structure of Ge2O6Ti2 is 3.93 g/cm³.
How many polymorphs of Ge2O6Ti2 are known?
13 structures of Ge2O6Ti2 are reported across 2 databases, spanning 8 distinct space groups.
What elements does Ge2O6Ti2 contain?
Ge2O6Ti2 contains Ge, O, and Ti (3 elements).
Where does the data for Ge2O6Ti2 come from?
Ge2O6Ti2 data is cross-referenced from materials_project, aflow.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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