H12Hg2I6N2O2
Millon's base iodide, Mercury(II) amidoiodide hydrate
This compound is a complex mercury-based inorganic material that typically forms as a result of reactions between mercury salts and ammonia. It is primarily studied in the context of coordination chemistry and historical chemical analysis.
Key Properties
Cross-validated computational properties for H12Hg2I6N2O2, 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 H12Hg2I6N2O2, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 1.77 | 0.0175 | -3.942 | 4.20 |
| Cc (No. 9) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.08 |
Applications
Where H12Hg2I6N2O2 is used.
Frequently Asked Questions
Common questions about H12Hg2I6N2O2, answered from cross-validated data.
What is H12Hg2I6N2O2?
This compound is a complex mercury-based inorganic material that typically forms as a result of reactions between mercury salts and ammonia. It is primarily studied in the context of coordination chemistry and historical chemical analysis.
What is H12Hg2I6N2O2 used for?
What is the band gap of H12Hg2I6N2O2?
Is H12Hg2I6N2O2 a metal, semiconductor, or insulator?
Is H12Hg2I6N2O2 thermodynamically stable?
What is the crystal structure of H12Hg2I6N2O2?
What is the density of H12Hg2I6N2O2?
How many polymorphs of H12Hg2I6N2O2 are known?
What elements does H12Hg2I6N2O2 contain?
Where does the data for H12Hg2I6N2O2 come from?
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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