Hg4N4O8
Hg4N4O8 is a metastable semiconducting compound containing mercury, nitrogen, and oxygen.
About Hg4N4O8
Hg4N4O8 is a complex inorganic compound composed of mercury, nitrogen, and oxygen. As a semiconducting material, it exhibits electronic behavior that distinguishes it from simple metallic or insulating mercury salts, making it a subject of interest for specialized solid-state research.
Because it exists in a metastable state, this compound requires precise synthetic control to stabilize its structural configuration. Its presence across multiple databases highlights its role as a niche material for exploring the interplay between heavy metal cations and nitrogen-oxygen coordination environments.
Key Properties
Cross-validated computational properties for Hg4N4O8, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Hg4N4O8, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.08 | 0.0832 | -5.200 | 5.28 |
| — | — | — | — | — | 7.43 |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 3.52 |
Frequently Asked Questions
Common questions about Hg4N4O8, answered from cross-validated data.
What is Hg4N4O8?
Hg4N4O8 is a metastable semiconducting compound containing mercury, nitrogen, and oxygen.
What is the band gap of Hg4N4O8?
Is Hg4N4O8 a metal, semiconductor, or insulator?
Is Hg4N4O8 thermodynamically stable?
What is the crystal structure of Hg4N4O8?
What is the density of Hg4N4O8?
How many polymorphs of Hg4N4O8 are known?
What elements does Hg4N4O8 contain?
Where does the data for Hg4N4O8 come from?
How It Compares
As a unique inorganic phase, Hg4N4O8 serves as a distinct example of mercury-based nitrogen-oxygen chemistry. Without direct structural siblings in this specific class, it stands as an independent reference point for understanding how mercury can stabilize complex anionic frameworks in a semiconducting electronic regime.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- 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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