H8Hg8O44S8Zn8
This complex inorganic compound is a hydrated sulfate mineral containing mercury and zinc. It typically occurs as a secondary mineral in the oxidation zones of ore deposits where mercury and zinc minerals are present.
HHgOSZn
Overview
Key Properties
Cross-validated computational properties for H8Hg8O44S8Zn8, 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.
2.22 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for H8Hg8O44S8Zn8, 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. |
|---|---|---|---|---|---|
| Pbcm (No. 57) | orthorhombic | 2.22 | 0.0000 | -5.376 | 5.46 |
| Pbcm (No. 57) | — | — | — | — | — |
| — | — | — | — | — | 5.46 |
Uses
Applications
Where H8Hg8O44S8Zn8 is used.
Geological researchMineralogical specimen collection
Reference
Frequently Asked Questions
Common questions about H8Hg8O44S8Zn8, answered from cross-validated data.
What is H8Hg8O44S8Zn8?
This complex inorganic compound is a hydrated sulfate mineral containing mercury and zinc. It typically occurs as a secondary mineral in the oxidation zones of ore deposits where mercury and zinc minerals are present.
What is H8Hg8O44S8Zn8 used for?
H8Hg8O44S8Zn8 is used in geological research and mineralogical specimen collection.
What is the band gap of H8Hg8O44S8Zn8?
H8Hg8O44S8Zn8 has a DFT-computed band gap of 2.22 eV across 3 reported structures.
Is H8Hg8O44S8Zn8 a metal, semiconductor, or insulator?
With a band gap up to 2.22 eV it is a semiconductor.
Is H8Hg8O44S8Zn8 thermodynamically stable?
Yes — H8Hg8O44S8Zn8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of H8Hg8O44S8Zn8?
The lowest-energy reported polymorph of H8Hg8O44S8Zn8 is orthorhombic symmetry, space group Pbcm (No. 57).
What is the density of H8Hg8O44S8Zn8?
The computed density of the ground-state structure of H8Hg8O44S8Zn8 is 5.46 g/cm³.
How many polymorphs of H8Hg8O44S8Zn8 are known?
3 structures of H8Hg8O44S8Zn8 are reported across 3 databases, spanning 1 distinct space group.
What elements does H8Hg8O44S8Zn8 contain?
H8Hg8O44S8Zn8 contains H, Hg, O, S, and Zn (5 elements).
Where does the data for H8Hg8O44S8Zn8 come from?
H8Hg8O44S8Zn8 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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