CuNa3Se4Sn
CuNa3Se4Sn is a semiconducting quaternary chalcogenide compound being researched for its potential as a light-absorbing material in photovoltaic applications.
About CuNa3Se4Sn
CuNa3Se4Sn is a complex quaternary chalcogenide semiconductor that belongs to a class of materials widely investigated for their potential in thin-film solar energy conversion. Its electronic structure and composition make it a subject of interest for researchers seeking to optimize light absorption and charge carrier transport in photovoltaic devices.
As a material identified as being near the thermodynamic hull, CuNa3Se4Sn is considered a viable candidate for experimental synthesis. Its stability profile suggests that it can be reliably produced in the laboratory, providing a platform for further exploration into its optoelectronic capabilities within the broader field of chalcogenide-based semiconductors.
Key Properties
Cross-validated computational properties for CuNa3Se4Sn, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CuNa3Se4Sn. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for CuNa3Se4Sn, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.14 | 0.0167 | -3.838 | 4.02 |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | monoclinic | — | — | — | 1.04 |
Applications
Where CuNa3Se4Sn is used.
Frequently Asked Questions
Common questions about CuNa3Se4Sn, answered from cross-validated data.
What is CuNa3Se4Sn?
CuNa3Se4Sn is a semiconducting quaternary chalcogenide compound being researched for its potential as a light-absorbing material in photovoltaic applications.
What is CuNa3Se4Sn used for?
What is the band gap of CuNa3Se4Sn?
Is CuNa3Se4Sn a metal, semiconductor, or insulator?
Is CuNa3Se4Sn thermodynamically stable?
What is the crystal structure of CuNa3Se4Sn?
What is the density of CuNa3Se4Sn?
How many polymorphs of CuNa3Se4Sn are known?
What elements does CuNa3Se4Sn contain?
Where does the data for CuNa3Se4Sn come from?
How It Compares
Within the chalcogenide photovoltaic absorbers class.
Within the diverse family of copper-based chalcogenide absorbers, CuNa3Se4Sn occupies a distinct niche compared to more traditional binary or ternary phases like Cu2SnSe3. While many of its siblings focus on optimizing the copper-tin-selenium ratio, the inclusion of sodium in this structure introduces unique chemical and electronic considerations that may influence its performance characteristics relative to established counterparts.
Related Compounds
Other Chalcogenide Photovoltaic Absorbers in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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