GaMoSe2
GaMoSe2 is a metastable semiconducting compound composed of gallium, molybdenum, and selenium.
About GaMoSe2
GaMoSe2 is a ternary chalcogenide that exhibits semiconducting electronic behavior. As a metastable phase, it represents a specialized material system of interest for researchers investigating complex structural arrangements in metal-selenium frameworks.
Its existence within a diverse landscape of reported structural variants highlights its role as a subject of fundamental study. Understanding its stability and electronic nature is essential for evaluating its potential utility in emerging semiconductor technologies.
Key Properties
Cross-validated computational properties for GaMoSe2, 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 GaMoSe2. 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 GaMoSe2, 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. |
|---|---|---|---|---|---|
| R3m (No. 160) | trigonal | 0.21 | 0.0586 | -6.597 | 6.39 |
| F-43m (No. 216) | cubic | 0.00 | 0.0633 | -6.592 | 6.40 |
| Cm (No. 8) | monoclinic | 0.00 | 0.8105 | -5.845 | 5.69 |
| Cm (No. 8) | Monoclinic | — | — | — | 9.76 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 5.54 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 7.15 |
| No. 0 | unknown | — | — | — | 0.51 |
| F-43m (No. 216) | cubic | — | — | — | 0.51 |
| No. 0 | unknown | — | — | — | 0.51 |
| F-43m (No. 216) | cubic | — | — | — | 0.51 |
| F-43m (No. 216) | cubic | — | — | — | 0.51 |
Frequently Asked Questions
Common questions about GaMoSe2, answered from cross-validated data.
What is GaMoSe2?
GaMoSe2 is a metastable semiconducting compound composed of gallium, molybdenum, and selenium.
What is the band gap of GaMoSe2?
Is GaMoSe2 a metal, semiconductor, or insulator?
Is GaMoSe2 thermodynamically stable?
What is the crystal structure of GaMoSe2?
What is the density of GaMoSe2?
How many polymorphs of GaMoSe2 are known?
What elements does GaMoSe2 contain?
Where does the data for GaMoSe2 come from?
How It Compares
As a distinct ternary compound, GaMoSe2 serves as an important reference point for exploring the interplay between gallium, molybdenum, and selenium. It occupies a unique niche in materials science, providing a benchmark for how metastable chalcogenides can be synthesized and characterized compared to more common binary or ternary counterparts.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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