Ge2Hg4O8
This compound is a complex oxide containing germanium and mercury. It is primarily studied within the field of solid-state chemistry for its structural properties and potential behavior in advanced materials research.
GeHgO
Overview
Key Properties
Cross-validated computational properties for Ge2Hg4O8, 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.
0.95–1.02 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.
0.013 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.
4
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ge2Hg4O8, 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. |
|---|---|---|---|---|---|
| Fddd (No. 70) | orthorhombic | 1.02 | 0.0130 | -4.850 | 8.63 |
| P-1 (No. 2) | triclinic | 0.95 | 0.0403 | -4.823 | 8.08 |
| Fddd (No. 70) | — | — | — | — | — |
| — | — | — | — | — | 6.67 |
Uses
Applications
Where Ge2Hg4O8 is used.
Solid-state chemistry researchMaterials science exploration
Reference
Frequently Asked Questions
Common questions about Ge2Hg4O8, answered from cross-validated data.
What is Ge2Hg4O8?
This compound is a complex oxide containing germanium and mercury. It is primarily studied within the field of solid-state chemistry for its structural properties and potential behavior in advanced materials research.
More questions
What is Ge2Hg4O8 used for?
Ge2Hg4O8 is used in solid-state chemistry research and materials science exploration.
What is the band gap of Ge2Hg4O8?
Ge2Hg4O8 has a DFT-computed band gap of 0.95–1.02 eV across 4 reported structures.
Is Ge2Hg4O8 a metal, semiconductor, or insulator?
With a band gap up to 1.02 eV it is a semiconductor.
Is Ge2Hg4O8 thermodynamically stable?
Ge2Hg4O8 has a lowest energy above hull of 0.013 eV/atom (near hull (likely stable)).
What is the crystal structure of Ge2Hg4O8?
The lowest-energy reported polymorph of Ge2Hg4O8 is orthorhombic symmetry, space group Fddd (No. 70).
What is the density of Ge2Hg4O8?
The computed density of the ground-state structure of Ge2Hg4O8 is 8.63 g/cm³.
How many polymorphs of Ge2Hg4O8 are known?
4 structures of Ge2Hg4O8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ge2Hg4O8 contain?
Ge2Hg4O8 contains Ge, Hg, and O (3 elements).
Where does the data for Ge2Hg4O8 come from?
Ge2Hg4O8 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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