Ga1Li1Se2
Lithium gallium selenide is a semiconductor material belonging to the chalcogenide family. It is primarily utilized in advanced optical technologies due to its specific crystalline structure and interaction with light.
GaLiSe
Overview
Key Properties
Cross-validated computational properties for Ga1Li1Se2, 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.
2.07 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.
26
2 databases, 17 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ga1Li1Se2, 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. |
|---|---|---|---|---|---|
| Pna21 (No. 33) | orthorhombic | 2.07 | 0.0000 | -11.677 | 4.17 |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
Uses
Applications
Where Ga1Li1Se2 is used.
Nonlinear opticsInfrared laser technologyFrequency conversion devices
Reference
Frequently Asked Questions
Common questions about Ga1Li1Se2, answered from cross-validated data.
What is Ga1Li1Se2?
Lithium gallium selenide is a semiconductor material belonging to the chalcogenide family. It is primarily utilized in advanced optical technologies due to its specific crystalline structure and interaction with light.
More questions
What is Ga1Li1Se2 used for?
Ga1Li1Se2 is used in nonlinear optics, infrared laser technology, and frequency conversion devices.
What is the band gap of Ga1Li1Se2?
Ga1Li1Se2 has a DFT-computed band gap of 2.07 eV across 26 reported structures.
Is Ga1Li1Se2 a metal, semiconductor, or insulator?
With a band gap up to 2.07 eV it is a semiconductor.
Is Ga1Li1Se2 thermodynamically stable?
Yes — Ga1Li1Se2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ga1Li1Se2?
The lowest-energy reported polymorph of Ga1Li1Se2 is orthorhombic symmetry, space group Pna21 (No. 33).
What is the density of Ga1Li1Se2?
The computed density of the ground-state structure of Ga1Li1Se2 is 4.17 g/cm³.
How many polymorphs of Ga1Li1Se2 are known?
26 structures of Ga1Li1Se2 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Ga1Li1Se2 contain?
Ga1Li1Se2 contains Ga, Li, and Se (3 elements).
Where does the data for Ga1Li1Se2 come from?
Ga1Li1Se2 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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