AsSeI
Arsenic selenium iodide is a chalcogenide glass material known for its ability to transmit infrared light. It is primarily utilized in the development of specialized optical components for sensing and imaging technologies.
AsISe
Overview
Key Properties
Cross-validated computational properties for AsSeI, 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.
1.23 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
7
3 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for AsSeI, 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 | 1.23 | 0.0000 | -3.681 | 4.70 |
| P21/c (No. 14) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 4.94 |
| P1 (No. 1) | Triclinic | — | — | — | 7.64 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.24 |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Uses
Applications
Where AsSeI is used.
Infrared opticsOptical fibersThermal imaging sensors
Reference
Frequently Asked Questions
Common questions about AsSeI, answered from cross-validated data.
What is AsSeI?
Arsenic selenium iodide is a chalcogenide glass material known for its ability to transmit infrared light. It is primarily utilized in the development of specialized optical components for sensing and imaging technologies.
More questions
What is AsSeI used for?
AsSeI is used in infrared optics, optical fibers, and thermal imaging sensors.
What is the band gap of AsSeI?
AsSeI has a DFT-computed band gap of 1.23 eV across 7 reported structures.
Is AsSeI a metal, semiconductor, or insulator?
With a band gap up to 1.23 eV it is a semiconductor.
Is AsSeI thermodynamically stable?
Yes — AsSeI sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of AsSeI?
The lowest-energy reported polymorph of AsSeI is monoclinic symmetry, space group P21/c (No. 14).
What is the density of AsSeI?
The computed density of the ground-state structure of AsSeI is 4.70 g/cm³.
How many polymorphs of AsSeI are known?
7 structures of AsSeI are reported across 3 databases, spanning 5 distinct space groups.
What elements does AsSeI contain?
AsSeI contains As, I, and Se (3 elements).
Where does the data for AsSeI come from?
AsSeI data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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