GeAsSe
GeAsSe is a thermodynamically stable semiconducting compound composed of germanium, arsenic, and selenium.
About GeAsSe
GeAsSe is a complex ternary compound that occupies a stable position on the convex hull, indicating significant thermodynamic robustness. As a semiconducting material, it offers unique electronic characteristics that arise from the interplay of its constituent elements. Its structural diversity, evidenced by multiple reported configurations, makes it a subject of interest for fundamental materials research. The compound is primarily studied for its potential utility in specialized electronic and optoelectronic applications where stable, tunable semiconductor properties are required. Its ability to maintain structural integrity across various conditions highlights its importance in the broader landscape of chalcogenide-based materials.
Key Properties
Cross-validated computational properties for GeAsSe, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of GeAsSe. 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 GeAsSe, 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. |
|---|---|---|---|---|---|
| — | — | 1.56 | 0.0000 | -0.179 | — |
| Pnna (No. 52) | orthorhombic | 1.48 | 0.0000 | -4.591 | 4.65 |
| Pnna (No. 52) | orthorhombic | 1.32 | 0.0432 | -0.153 | — |
| — | — | 0.00 | 0.1446 | -0.034 | — |
| P4mm (No. 99) | tetragonal | 0.00 | 0.9642 | 0.768 | — |
| P21/m (No. 11) | monoclinic | — | — | — | 5.20 |
| Pnna (No. 52) | orthorhombic | — | — | — | 5.03 |
| P21/m (No. 11) | monoclinic | — | — | — | 3.85 |
| P21/m (No. 11) | monoclinic | — | — | — | 7.42 |
Applications
Where GeAsSe is used.
Frequently Asked Questions
Common questions about GeAsSe, answered from cross-validated data.
What is GeAsSe?
GeAsSe is a thermodynamically stable semiconducting compound composed of germanium, arsenic, and selenium.
What is GeAsSe used for?
What is the band gap of GeAsSe?
Is GeAsSe a metal, semiconductor, or insulator?
Is GeAsSe thermodynamically stable?
What is the crystal structure of GeAsSe?
What is the density of GeAsSe?
How many polymorphs of GeAsSe are known?
What elements does GeAsSe contain?
Where does the data for GeAsSe come from?
How It Compares
As a unique ternary phase, GeAsSe serves as a distinct example of stable semiconductor design within its chemical family, providing a baseline for understanding how the integration of germanium, arsenic, and selenium influences electronic behavior.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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