InAgSe2
Silver indium diselenide
This compound is a semiconductor material belonging to the chalcopyrite family. It is primarily investigated for its potential in optoelectronic devices and solar energy conversion technologies.
AgInSe
Overview
Key Properties
Cross-validated computational properties for InAgSe2, 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.
0.06 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
28
3 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for InAgSe2, 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. |
|---|---|---|---|---|---|
| I-42d (No. 122) | tetragonal | 0.00 | 0.0000 | -18.673 | 5.63 |
| Pna21 (No. 33) | orthorhombic | 0.06 | 0.0113 | -18.661 | 5.40 |
| R3m (No. 160) | trigonal | 0.00 | 0.0708 | -18.602 | 5.38 |
| R-3m (No. 166) | trigonal | 0.00 | 0.1009 | -18.572 | 6.82 |
| I41/amd (No. 141) | tetragonal | 0.00 | 0.1096 | -18.563 | 6.80 |
| Fdd2 (No. 43) | orthorhombic | 0.00 | 0.1123 | -18.560 | 6.79 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.1411 | -18.531 | 6.85 |
| Pna21 (No. 33) | Orthorhombic | — | — | — | 5.40 |
| I-42d (No. 122) | Tetragonal | — | — | — | 5.64 |
| I41/amd (No. 141) | Tetragonal | — | — | — | 6.80 |
| R-3m (No. 166) | Trigonal | — | — | — | 7.11 |
| R3m (No. 160) | Trigonal | — | — | — | 5.38 |
Uses
Applications
Where InAgSe2 is used.
PhotovoltaicsInfrared detectorsNonlinear optical devices
Reference
Frequently Asked Questions
Common questions about InAgSe2, answered from cross-validated data.
What is InAgSe2?
This compound is a semiconductor material belonging to the chalcopyrite family. It is primarily investigated for its potential in optoelectronic devices and solar energy conversion technologies.
More questions
What is InAgSe2 used for?
InAgSe2 is used in photovoltaics, infrared detectors, and nonlinear optical devices.
What is the band gap of InAgSe2?
InAgSe2 has a DFT-computed band gap of 0.06 eV across 28 reported structures.
Is InAgSe2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is InAgSe2 thermodynamically stable?
Yes — InAgSe2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of InAgSe2?
The lowest-energy reported polymorph of InAgSe2 is tetragonal symmetry, space group I-42d (No. 122).
What is the density of InAgSe2?
The computed density of the ground-state structure of InAgSe2 is 5.63 g/cm³.
How many polymorphs of InAgSe2 are known?
28 structures of InAgSe2 are reported across 3 databases, spanning 7 distinct space groups.
What elements does InAgSe2 contain?
InAgSe2 contains Ag, In, and Se (3 elements).
Where does the data for InAgSe2 come from?
InAgSe2 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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