Ni1Sb1Tb1
Ni1Sb1Tb1 is a stable, semiconducting skutterudite material primarily researched for its potential in thermoelectric energy conversion.
About Ni1Sb1Tb1
Ni1Sb1Tb1 is a member of the skutterudite family of materials, characterized by its semiconducting electronic structure. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within this complex structural class.
These materials are primarily investigated for their potential in thermoelectric energy conversion, where their unique atomic frameworks allow for the manipulation of thermal and electrical transport. The inclusion of rare-earth elements like terbium within the skutterudite lattice is a key strategy for optimizing performance in energy-harvesting technologies.
Key Properties
Cross-validated computational properties for Ni1Sb1Tb1, 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 Ni1Sb1Tb1, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.33 | 0.0000 | -5.814 | 8.87 |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.0712 | -5.546 | 9.59 |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 2.23 |
Applications
Where Ni1Sb1Tb1 is used.
Frequently Asked Questions
Common questions about Ni1Sb1Tb1, answered from cross-validated data.
What is Ni1Sb1Tb1?
Ni1Sb1Tb1 is a stable, semiconducting skutterudite material primarily researched for its potential in thermoelectric energy conversion.
What is Ni1Sb1Tb1 used for?
What is the band gap of Ni1Sb1Tb1?
Is Ni1Sb1Tb1 a metal, semiconductor, or insulator?
Is Ni1Sb1Tb1 thermodynamically stable?
What is the crystal structure of Ni1Sb1Tb1?
What is the density of Ni1Sb1Tb1?
How many polymorphs of Ni1Sb1Tb1 are known?
What elements does Ni1Sb1Tb1 contain?
Where does the data for Ni1Sb1Tb1 come from?
How It Compares
Within the skutterudite thermoelectrics class.
Unlike binary phosphides such as Ni2P or FeP2, which often exhibit metallic or simple covalent behavior, Ni1Sb1Tb1 incorporates heavier pnictogen and rare-earth components to achieve a distinct semiconducting state. This complexity allows it to bridge the gap between simpler pnictides like NiP and more intricate ternary skutterudite systems.
Related Compounds
Other Skutterudite Thermoelectrics 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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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