Na2PtSe2
Na2PtSe2 is a thermodynamically stable semiconducting ternary compound containing sodium, platinum, and selenium.
About Na2PtSe2
Na2PtSe2 is a distinct semiconducting compound within the platinum-group alloy catalyst family. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration that provides a reliable platform for investigating electronic behavior in ternary chalcogenides.
This material is primarily utilized in advanced materials research where its specific electronic character is leveraged for potential catalytic applications. Its structural integrity makes it a subject of interest for those studying the fundamental interactions between alkali metals, noble metals, and chalcogens.
Key Properties
Cross-validated computational properties for Na2PtSe2, aggregated across 4 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 Na2PtSe2. 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 Na2PtSe2, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 0.99 | 0.0000 | -0.855 | — |
| Cmc21 (No. 36) | orthorhombic | 0.87 | 0.0000 | -18.422 | 5.91 |
| — | — | — | 0.0000 | -0.868 | — |
| — | — | 0.40 | 0.0143 | -0.854 | — |
| — | — | — | — | — | 5.28 |
Applications
Where Na2PtSe2 is used.
Frequently Asked Questions
Common questions about Na2PtSe2, answered from cross-validated data.
What is Na2PtSe2?
Na2PtSe2 is a thermodynamically stable semiconducting ternary compound containing sodium, platinum, and selenium.
What is Na2PtSe2 used for?
What is the band gap of Na2PtSe2?
Is Na2PtSe2 a metal, semiconductor, or insulator?
Is Na2PtSe2 thermodynamically stable?
What is the crystal structure of Na2PtSe2?
How many polymorphs of Na2PtSe2 are known?
What elements does Na2PtSe2 contain?
Where does the data for Na2PtSe2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike the metallic or binary intermetallic phases such as As2Pt or IrSe2, Na2PtSe2 incorporates an alkali metal component that significantly alters its electronic landscape, shifting the material toward a semiconducting state. While many platinum-group alloys in this class are characterized by metallic conductivity, this compound stands out by maintaining stability while exhibiting a gap in its electronic structure.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- omat24 — Data from Meta Open Materials 2024 (OMat24), Meta FAIR. Cite: Barroso-Luque et al., arXiv:2410.12771 (2024). (CC-BY-4.0)
Analyze Na2PtSe2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →