AsSe
Arsenic selenide
Arsenic selenide is a chalcogenide glass material known for its ability to transmit infrared light. It is primarily utilized in optical components due to its transparency across a broad range of the infrared spectrum.
AsSe
Overview
Key Properties
Cross-validated computational properties for AsSe, 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.
1.37 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.
139
3 databases, 23 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for AsSe, 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 | 1.37 | 0.0000 | -14.629 | 4.36 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.74 |
| P1 (No. 1) | Triclinic | — | — | — | 3.11 |
| P1 (No. 1) | Triclinic | — | — | — | 7.97 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.82 |
| P1 (No. 1) | Triclinic | — | — | — | 4.94 |
| Cm (No. 8) | Monoclinic | — | — | — | 8.60 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.80 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.19 |
| P1 (No. 1) | Triclinic | — | — | — | 4.47 |
| P1 (No. 1) | Triclinic | — | — | — | 4.39 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.91 |
Uses
Applications
Where AsSe is used.
Infrared opticsOptical fibersThermal imaging lensesPhotonic devices
Reference
Frequently Asked Questions
Common questions about AsSe, answered from cross-validated data.
What is AsSe?
Arsenic selenide is a chalcogenide glass material known for its ability to transmit infrared light. It is primarily utilized in optical components due to its transparency across a broad range of the infrared spectrum.
More questions
What is AsSe used for?
AsSe is used in infrared optics, optical fibers, thermal imaging lenses, and photonic devices.
What is the band gap of AsSe?
AsSe has a DFT-computed band gap of 1.37 eV across 139 reported structures.
Is AsSe a metal, semiconductor, or insulator?
With a band gap up to 1.37 eV it is a semiconductor.
Is AsSe thermodynamically stable?
Yes — AsSe sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of AsSe?
The lowest-energy reported polymorph of AsSe is monoclinic symmetry, space group P21/c (No. 14).
What is the density of AsSe?
The computed density of the ground-state structure of AsSe is 4.36 g/cm³.
How many polymorphs of AsSe are known?
139 structures of AsSe are reported across 3 databases, spanning 23 distinct space groups.
What elements does AsSe contain?
AsSe contains As and Se (2 elements).
Where does the data for AsSe come from?
AsSe data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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