As4F28Hg4
As4F28Hg4 is a thermodynamically stable semiconducting compound containing arsenic, fluorine, and mercury.
About As4F28Hg4
As4F28Hg4 is a complex inorganic compound composed of arsenic, fluorine, and mercury. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions.
Characterized as a semiconductor, this material offers intriguing electronic properties that distinguish it from simple ionic salts. Its existence as a distinct, stable structure makes it a subject of interest for fundamental research into multi-element halide and pnictide frameworks.
Key Properties
Cross-validated computational properties for As4F28Hg4, 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 As4F28Hg4, 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 | 2.49 | 0.0000 | -11.577 | 5.08 |
| No. 0 | unknown | — | — | — | 1.26 |
| — | — | — | — | — | 3.57 |
Frequently Asked Questions
Common questions about As4F28Hg4, answered from cross-validated data.
What is As4F28Hg4?
As4F28Hg4 is a thermodynamically stable semiconducting compound containing arsenic, fluorine, and mercury.
What is the band gap of As4F28Hg4?
Is As4F28Hg4 a metal, semiconductor, or insulator?
Is As4F28Hg4 thermodynamically stable?
What is the crystal structure of As4F28Hg4?
What is the density of As4F28Hg4?
How many polymorphs of As4F28Hg4 are known?
What elements does As4F28Hg4 contain?
Where does the data for As4F28Hg4 come from?
How It Compares
As a unique inorganic compound, As4F28Hg4 serves as a specialized example of complex mercury-arsenic-fluorine chemistry, occupying a distinct niche where it demonstrates thermodynamic stability as a semiconductor.
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).
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