Cd3Se4
Cd3Se4 is a semiconducting cadmium selenide compound that exists in a metastable state compared to more common binary II-VI semiconductors.
About Cd3Se4
Cd3Se4 is a semiconducting member of the II-VI chalcogenide family. It represents a complex stoichiometry within the cadmium-selenium system, highlighting the diverse structural arrangements possible when combining these elements.
While it is categorized as a semiconductor, this specific phase is often found to be thermodynamically metastable, placing it above the convex hull. Its existence in multiple reported structures across databases underscores its role as a subject of interest in computational materials science.
Key Properties
Cross-validated computational properties for Cd3Se4, 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.
Reported Structures
Lowest-energy structures reported for Cd3Se4, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.45 | 0.1809 | -2.979 | 5.16 |
| Cm (No. 8) | monoclinic | 0.87 | 0.2862 | -17.151 | 4.52 |
| I4/mmm (No. 139) | — | — | — | — | — |
| P6/mmm (No. 191) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 8.96 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.90 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.96 |
Applications
Where Cd3Se4 is used.
Frequently Asked Questions
Common questions about Cd3Se4, answered from cross-validated data.
What is Cd3Se4?
Cd3Se4 is a semiconducting cadmium selenide compound that exists in a metastable state compared to more common binary II-VI semiconductors.
What is Cd3Se4 used for?
What is the band gap of Cd3Se4?
Is Cd3Se4 a metal, semiconductor, or insulator?
Is Cd3Se4 thermodynamically stable?
What is the crystal structure of Cd3Se4?
What is the density of Cd3Se4?
How many polymorphs of Cd3Se4 are known?
What elements does Cd3Se4 contain?
Where does the data for Cd3Se4 come from?
How It Compares
Within the ii-vi semiconductors class.
Unlike the highly stable and widely utilized binary semiconductors like CdS, CdSe, and CdTe, Cd3Se4 occupies a more precarious position in the phase space of II-VI materials. While its siblings are foundational to optoelectronics, Cd3Se4 serves as a critical case study in the structural complexity and stability challenges inherent to non-stoichiometric or high-order cadmium selenide phases.
Related Compounds
Other II-VI Semiconductors in the database.
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).
- mpaloe — Data from mpaloe.
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