NaPrTe2
NaPrTe2 is a thermodynamically stable semiconducting ternary telluride compound containing sodium, praseodymium, and tellurium.
About NaPrTe2
NaPrTe2 is a ternary telluride compound characterized by its semiconducting electronic nature. As a material situated on the convex hull, it exhibits notable thermodynamic stability, making it a robust candidate for fundamental studies in solid-state chemistry and materials science. Its composition of sodium, praseodymium, and tellurium suggests a complex structural arrangement that warrants further investigation into its physical properties. The compound is of interest to researchers exploring rare-earth chalcogenides for potential optoelectronic or thermoelectric applications where stable, semiconducting behavior is required. Its structural diversity, evidenced by multiple reported configurations, highlights the flexibility of this material system under varying synthesis conditions.
Key Properties
Cross-validated computational properties for NaPrTe2, aggregated across 5 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 NaPrTe2. 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 NaPrTe2, 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. |
|---|---|---|---|---|---|
| — | — | 1.25 | 0.0000 | -1.360 | — |
| Fd-3m (No. 227) | cubic | 1.06 | 0.0000 | -22.540 | 5.13 |
| Fd-3m (No. 227) | cubic | 1.05 | 0.0000 | -1.390 | — |
| — | — | 0.00 | 0.2098 | -1.151 | — |
| R3m (No. 160) | trigonal | — | — | — | 5.08 |
| Fd-3m (No. 227) | cubic | — | — | — | 5.24 |
Applications
Where NaPrTe2 is used.
Frequently Asked Questions
Common questions about NaPrTe2, answered from cross-validated data.
What is NaPrTe2?
NaPrTe2 is a thermodynamically stable semiconducting ternary telluride compound containing sodium, praseodymium, and tellurium.
What is NaPrTe2 used for?
What is the band gap of NaPrTe2?
Is NaPrTe2 a metal, semiconductor, or insulator?
Is NaPrTe2 thermodynamically stable?
What is the crystal structure of NaPrTe2?
What is the density of NaPrTe2?
How many polymorphs of NaPrTe2 are known?
What elements does NaPrTe2 contain?
Where does the data for NaPrTe2 come from?
How It Compares
As a member of the ternary telluride family, NaPrTe2 serves as a representative example of how rare-earth elements can be integrated into chalcogenide frameworks to achieve stable semiconducting phases. While it occupies a unique space in the materials landscape, it contributes to the broader understanding of how alkali-metal and lanthanide combinations influence the electronic landscape of tellurium-based compounds.
Data sources & attribution
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
Analyze NaPrTe2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →