Cl1Ga1Se1
Gallium selenium chloride is a crystalline inorganic compound that belongs to the family of metal halide chalcogenides. It is primarily utilized in specialized materials science research for its unique structural properties and potential utility in semiconductor development.
ClGaSe
Overview
Key Properties
Cross-validated computational properties for Cl1Ga1Se1, aggregated across 2 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.
2.51 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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
10
2 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cl1Ga1Se1, 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. |
|---|---|---|---|---|---|
| Pnnm (No. 58) | orthorhombic | 2.51 | 0.0000 | -11.608 | 3.82 |
| I4mm (No. 107) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| Fmm2 (No. 42) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
Uses
Applications
Where Cl1Ga1Se1 is used.
Semiconductor researchMaterials science studiesSolid-state chemistry
Intellectual Property
Patent Landscape
1 patent reference Cl1Ga1Se1 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 8248032 | Charging system for prioritizing load consumption in a notebook computer | — | — |
Reference
Frequently Asked Questions
Common questions about Cl1Ga1Se1, answered from cross-validated data.
What is Cl1Ga1Se1?
Gallium selenium chloride is a crystalline inorganic compound that belongs to the family of metal halide chalcogenides. It is primarily utilized in specialized materials science research for its unique structural properties and potential utility in semiconductor development.
What is Cl1Ga1Se1 used for?
Cl1Ga1Se1 is used in semiconductor research, materials science studies, and solid-state chemistry.
What is the band gap of Cl1Ga1Se1?
Cl1Ga1Se1 has a DFT-computed band gap of 2.51 eV across 10 reported structures.
Is Cl1Ga1Se1 a metal, semiconductor, or insulator?
With a band gap up to 2.51 eV it is a semiconductor.
Is Cl1Ga1Se1 thermodynamically stable?
Yes — Cl1Ga1Se1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cl1Ga1Se1?
The lowest-energy reported polymorph of Cl1Ga1Se1 is orthorhombic symmetry, space group Pnnm (No. 58).
What is the density of Cl1Ga1Se1?
The computed density of the ground-state structure of Cl1Ga1Se1 is 3.82 g/cm³.
How many polymorphs of Cl1Ga1Se1 are known?
10 structures of Cl1Ga1Se1 are reported across 2 databases, spanning 6 distinct space groups.
What elements does Cl1Ga1Se1 contain?
Cl1Ga1Se1 contains Cl, Ga, and Se (3 elements).
Where does the data for Cl1Ga1Se1 come from?
Cl1Ga1Se1 data is cross-referenced from materials_project, aflow.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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