Hg4K8S8
This compound is a complex sulfide containing mercury and potassium. It is primarily studied in academic research settings for its structural properties and potential roles in solid-state chemistry.
HgKS
Overview
Key Properties
Cross-validated computational properties for Hg4K8S8, aggregated across 4 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.
2.14 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.
4
4 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Hg4K8S8, 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 | 2.14 | 0.0000 | -3.197 | 3.68 |
| No. 0 | unknown | — | — | — | 0.86 |
| — | — | — | — | — | 2.90 |
| Pbcm (No. 57) | — | — | — | — | — |
Uses
Applications
Where Hg4K8S8 is used.
Solid-state chemistry researchMaterials science studies
Reference
Frequently Asked Questions
Common questions about Hg4K8S8, answered from cross-validated data.
What is Hg4K8S8?
This compound is a complex sulfide containing mercury and potassium. It is primarily studied in academic research settings for its structural properties and potential roles in solid-state chemistry.
More questions
What is Hg4K8S8 used for?
Hg4K8S8 is used in solid-state chemistry research and materials science studies.
What is the band gap of Hg4K8S8?
Hg4K8S8 has a DFT-computed band gap of 2.14 eV across 4 reported structures.
Is Hg4K8S8 a metal, semiconductor, or insulator?
With a band gap up to 2.14 eV it is a semiconductor.
Is Hg4K8S8 thermodynamically stable?
Yes — Hg4K8S8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Hg4K8S8?
The lowest-energy reported polymorph of Hg4K8S8 is orthorhombic symmetry, space group Pbcm (No. 57).
What is the density of Hg4K8S8?
The computed density of the ground-state structure of Hg4K8S8 is 3.68 g/cm³.
How many polymorphs of Hg4K8S8 are known?
4 structures of Hg4K8S8 are reported across 4 databases, spanning 2 distinct space groups.
What elements does Hg4K8S8 contain?
Hg4K8S8 contains Hg, K, and S (3 elements).
Where does the data for Hg4K8S8 come from?
Hg4K8S8 data is cross-referenced from materials_project, cod, omat24, aflow.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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