As4F28Kr4
As4F28Kr4 is a stable, semiconducting inorganic compound containing arsenic, fluorine, and krypton.
About As4F28Kr4
As4F28Kr4 is a complex inorganic compound composed of arsenic, fluorine, and krypton. Its electronic character is defined as semiconducting, making it a subject of interest for fundamental studies in materials science.
As a thermodynamically stable phase located on the convex hull, this material demonstrates significant structural integrity. It represents a rare instance of noble gas incorporation into a solid-state framework, providing insights into chemical bonding under specific conditions.
Key Properties
Cross-validated computational properties for As4F28Kr4, 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 As4F28Kr4, 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 | 2.50 | 0.0000 | -6.949 | 3.54 |
| No. 0 | unknown | — | — | — | 0.87 |
| P21/c (No. 14) | — | — | — | — | — |
Frequently Asked Questions
Common questions about As4F28Kr4, answered from cross-validated data.
What is As4F28Kr4?
As4F28Kr4 is a stable, semiconducting inorganic compound containing arsenic, fluorine, and krypton.
What is the band gap of As4F28Kr4?
Is As4F28Kr4 a metal, semiconductor, or insulator?
Is As4F28Kr4 thermodynamically stable?
What is the crystal structure of As4F28Kr4?
What is the density of As4F28Kr4?
How many polymorphs of As4F28Kr4 are known?
What elements does As4F28Kr4 contain?
Where does the data for As4F28Kr4 come from?
How It Compares
As4F28Kr4 stands as a distinct and isolated entry within its chemical family, representing a specialized structural configuration that does not share direct, well-characterized siblings in current databases.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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