Ge2Hf2O8
This compound is a complex oxide containing germanium and hafnium. It is primarily studied in materials science research for its structural properties and potential utility in advanced electronic or optical components.
GeHfO
Overview
Key Properties
Cross-validated computational properties for Ge2Hf2O8, 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.
4.16 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, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ge2Hf2O8, 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. |
|---|---|---|---|---|---|
| I41/a (No. 88) | tetragonal | 4.16 | 0.0303 | -8.787 | 8.52 |
| P2/c (No. 13) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| P2/c (No. 13) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| — | — | — | — | — | 5.00 |
| — | — | — | — | — | 8.27 |
| — | — | — | — | — | 6.72 |
| — | — | — | — | — | 5.80 |
Uses
Applications
Where Ge2Hf2O8 is used.
Materials science researchSolid-state chemistryPotential dielectric applications
Reference
Frequently Asked Questions
Common questions about Ge2Hf2O8, answered from cross-validated data.
What is Ge2Hf2O8?
This compound is a complex oxide containing germanium and hafnium. It is primarily studied in materials science research for its structural properties and potential utility in advanced electronic or optical components.
More questions
What is Ge2Hf2O8 used for?
Ge2Hf2O8 is used in materials science research, solid-state chemistry, and potential dielectric applications.
What is the band gap of Ge2Hf2O8?
Ge2Hf2O8 has a DFT-computed band gap of 4.16 eV across 12 reported structures.
Is Ge2Hf2O8 a metal, semiconductor, or insulator?
With a wide band gap up to 4.16 eV it is an insulator / wide-band-gap material.
Is Ge2Hf2O8 thermodynamically stable?
Ge2Hf2O8 has a lowest energy above hull of 0.030 eV/atom (metastable).
What is the crystal structure of Ge2Hf2O8?
The lowest-energy reported polymorph of Ge2Hf2O8 is tetragonal symmetry, space group I41/a (No. 88).
What is the density of Ge2Hf2O8?
The computed density of the ground-state structure of Ge2Hf2O8 is 8.52 g/cm³.
How many polymorphs of Ge2Hf2O8 are known?
12 structures of Ge2Hf2O8 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Ge2Hf2O8 contain?
Ge2Hf2O8 contains Ge, Hf, and O (3 elements).
Where does the data for Ge2Hf2O8 come from?
Ge2Hf2O8 data is cross-referenced from materials_project, aflow, omat24.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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