AsOsSe
AsOsSe is a thermodynamically stable semiconducting ternary compound containing arsenic, osmium, and selenium.
About AsOsSe
AsOsSe is a distinct ternary compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration within its chemical system.
Its stability and electronic profile make it a subject of interest for researchers investigating complex chalcogenide and pnictide materials. The compound is supported by a significant body of structural data, reflecting its well-defined atomic arrangement.
Key Properties
Cross-validated computational properties for AsOsSe, aggregated across 4 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of AsOsSe. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for AsOsSe, 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. |
|---|---|---|---|---|---|
| — | — | 1.18 | 0.0000 | -0.263 | — |
| P21/c (No. 14) | monoclinic | 1.05 | 0.0000 | -27.648 | 10.67 |
| — | — | 1.18 | 0.0001 | -0.262 | — |
| — | — | 0.00 | 0.1621 | -0.100 | — |
| — | — | 0.00 | 0.1621 | -0.100 | — |
| — | — | 0.00 | 0.2621 | -0.000 | — |
| — | — | 0.00 | 0.2906 | 0.028 | — |
| — | — | 0.00 | 0.2930 | 0.031 | — |
| — | — | 0.00 | 0.3505 | 0.088 | — |
| — | — | 0.00 | 0.3859 | 0.123 | — |
| — | — | 0.00 | 0.4183 | 0.156 | — |
| — | — | 0.00 | 0.4282 | 0.166 | — |
Applications
Where AsOsSe is used.
Frequently Asked Questions
Common questions about AsOsSe, answered from cross-validated data.
What is AsOsSe?
AsOsSe is a thermodynamically stable semiconducting ternary compound containing arsenic, osmium, and selenium.
What is AsOsSe used for?
What is the band gap of AsOsSe?
Is AsOsSe a metal, semiconductor, or insulator?
Is AsOsSe thermodynamically stable?
What is the crystal structure of AsOsSe?
What is the density of AsOsSe?
How many polymorphs of AsOsSe are known?
What elements does AsOsSe contain?
Where does the data for AsOsSe come from?
How It Compares
As an unclassified ternary compound, AsOsSe serves as a foundational reference point for exploring the interplay between arsenic, osmium, and selenium. Without direct structural siblings in this specific grouping, it stands as a unique example of how these elements combine to form a stable semiconducting framework.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
Analyze AsOsSe in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →