As2F20H4N2S2
This complex inorganic compound consists of arsenic, fluorine, hydrogen, nitrogen, and sulfur. It is primarily utilized in specialized chemical research and laboratory synthesis applications.
AsFHNS
Overview
Key Properties
Cross-validated computational properties for As2F20H4N2S2, 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.
4.63 eV
Range across DFT structures
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.
0.085 eV/atom
Best (lowest) across sources
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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for As2F20H4N2S2, 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 | 4.63 | 0.0847 | -4.747 | 2.57 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
Uses
Applications
Where As2F20H4N2S2 is used.
Chemical synthesisScientific researchLaboratory reagent
Reference
Frequently Asked Questions
Common questions about As2F20H4N2S2, answered from cross-validated data.
What is As2F20H4N2S2?
This complex inorganic compound consists of arsenic, fluorine, hydrogen, nitrogen, and sulfur. It is primarily utilized in specialized chemical research and laboratory synthesis applications.
More questions
What is As2F20H4N2S2 used for?
As2F20H4N2S2 is used in chemical synthesis, scientific research, and laboratory reagent.
What is the band gap of As2F20H4N2S2?
As2F20H4N2S2 has a DFT-computed band gap of 4.63 eV across 3 reported structures.
Is As2F20H4N2S2 a metal, semiconductor, or insulator?
With a wide band gap up to 4.63 eV it is an insulator / wide-band-gap material.
Is As2F20H4N2S2 thermodynamically stable?
As2F20H4N2S2 has a lowest energy above hull of 0.085 eV/atom (metastable).
What is the crystal structure of As2F20H4N2S2?
The lowest-energy reported polymorph of As2F20H4N2S2 is triclinic symmetry, space group P-1 (No. 2).
What is the density of As2F20H4N2S2?
The computed density of the ground-state structure of As2F20H4N2S2 is 2.57 g/cm³.
How many polymorphs of As2F20H4N2S2 are known?
3 structures of As2F20H4N2S2 are reported across 3 databases, spanning 1 distinct space group.
What elements does As2F20H4N2S2 contain?
As2F20H4N2S2 contains As, F, H, N, and S (5 elements).
Where does the data for As2F20H4N2S2 come from?
As2F20H4N2S2 data is cross-referenced from materials_project, nomad, aflow.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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