In1Se2Zn1
In1Se2Zn1 is a stable, semiconducting ternary compound composed of indium, selenium, and zinc.
About In1Se2Zn1
In1Se2Zn1 is a complex ternary chalcogenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of indium, selenium, and zinc atoms.
This material is characterized by a high degree of structural diversity, with numerous reported configurations identified in materials databases. Its stability and electronic nature make it a subject of interest for researchers investigating new functional semiconductors.
Key Properties
Cross-validated computational properties for In1Se2Zn1, 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.
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.
Reported Structures
Lowest-energy structures reported for In1Se2Zn1, 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-4 (No. 82) | tetragonal | 0.99 | 0.0000 | -3.827 | 5.12 |
| I-42m (No. 121) | tetragonal | 0.86 | 0.0003 | -3.827 | 5.09 |
| Fd-3m (No. 227) | cubic | 0.70 | 0.0592 | -3.768 | 5.42 |
| R3m (No. 160) | trigonal | 0.00 | 0.1307 | -3.723 | 4.69 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
Applications
Where In1Se2Zn1 is used.
Frequently Asked Questions
Common questions about In1Se2Zn1, answered from cross-validated data.
What is In1Se2Zn1?
In1Se2Zn1 is a stable, semiconducting ternary compound composed of indium, selenium, and zinc.
What is In1Se2Zn1 used for?
What is the band gap of In1Se2Zn1?
Is In1Se2Zn1 a metal, semiconductor, or insulator?
Is In1Se2Zn1 thermodynamically stable?
What is the crystal structure of In1Se2Zn1?
What is the density of In1Se2Zn1?
How many polymorphs of In1Se2Zn1 are known?
What elements does In1Se2Zn1 contain?
Where does the data for In1Se2Zn1 come from?
How It Compares
As a unique ternary compound, In1Se2Zn1 serves as a distinct example of how combining group thirteen, group twelve, and chalcogen elements can yield stable, semiconducting crystalline architectures within the broader landscape of inorganic materials.
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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