Cd2Hg4O12Se2
Cd2Hg4O12Se2 is a thermodynamically stable, semiconducting quaternary compound containing cadmium, mercury, oxygen, and selenium.
About Cd2Hg4O12Se2
Cd2Hg4O12Se2 is a complex inorganic compound composed of cadmium, mercury, oxygen, and selenium. Its position on the convex hull confirms that it is a thermodynamically stable phase, making it a significant subject for structural analysis within its chemical family. As a semiconducting material, it exhibits electronic properties that are of interest for specialized optoelectronic or sensing applications. The existence of multiple reported structures across various databases underscores its importance as a well-characterized material in modern solid-state chemistry.
Key Properties
Cross-validated computational properties for Cd2Hg4O12Se2, 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 Cd2Hg4O12Se2, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.95 | 0.0000 | -4.547 | 6.92 |
| P-1 (No. 2) | triclinic | 1.00 | 0.0171 | -4.530 | 6.98 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 6.63 |
Applications
Where Cd2Hg4O12Se2 is used.
Frequently Asked Questions
Common questions about Cd2Hg4O12Se2, answered from cross-validated data.
What is Cd2Hg4O12Se2?
Cd2Hg4O12Se2 is a thermodynamically stable, semiconducting quaternary compound containing cadmium, mercury, oxygen, and selenium.
What is Cd2Hg4O12Se2 used for?
What is the band gap of Cd2Hg4O12Se2?
Is Cd2Hg4O12Se2 a metal, semiconductor, or insulator?
Is Cd2Hg4O12Se2 thermodynamically stable?
What is the crystal structure of Cd2Hg4O12Se2?
What is the density of Cd2Hg4O12Se2?
How many polymorphs of Cd2Hg4O12Se2 are known?
What elements does Cd2Hg4O12Se2 contain?
Where does the data for Cd2Hg4O12Se2 come from?
How It Compares
As a distinct quaternary compound, Cd2Hg4O12Se2 serves as a unique reference point for understanding the interplay between heavy metal cations and chalcogenide-oxide frameworks. Without direct structural siblings in this specific class, it represents a specialized case of stability and electronic behavior within complex multi-element systems.
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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