MnNi2Sb
MnNi2Sb is a metastable, metallic transition metal pnictide used primarily in fundamental materials science research regarding thermoelectric properties.
About MnNi2Sb
MnNi2Sb is a metallic compound characterized by its complex structural arrangement within the skutterudite-related family. As a metastable phase, it represents a specialized material of interest for researchers investigating non-equilibrium systems and their potential for thermoelectric energy conversion.
Its metallic nature distinguishes it from traditional wide-gap semiconductors, positioning it as a subject of study for high-conductivity applications. With significant data richness across multiple databases, it serves as a critical reference point for understanding the stability and electronic behavior of transition metal pnictide systems.
Key Properties
Cross-validated computational properties for MnNi2Sb, 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.
Reported Structures
Lowest-energy structures reported for MnNi2Sb, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0682 | -16.355 | 8.81 |
| F-43m (No. 216) | cubic | 0.00 | 0.1836 | -16.239 | 8.88 |
| R3m (No. 160) | — | — | — | — | — |
| Fm-3m (No. 225) | Cubic | — | — | — | 8.81 |
| Fm-3m (No. 225) | Cubic | — | — | — | 9.00 |
| Fm-3m (No. 225) | Cubic | — | — | — | 8.92 |
| — | — | — | — | — | 7.90 |
| F-43m (No. 216) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| — | — | — | — | — | 7.90 |
| F-43m (No. 216) | Cubic | — | — | — | 9.02 |
| F-43m (No. 216) | Cubic | — | — | — | 8.88 |
Applications
Where MnNi2Sb is used.
Frequently Asked Questions
Common questions about MnNi2Sb, answered from cross-validated data.
What is MnNi2Sb?
MnNi2Sb is a metastable, metallic transition metal pnictide used primarily in fundamental materials science research regarding thermoelectric properties.
What is MnNi2Sb used for?
What is the band gap of MnNi2Sb?
Is MnNi2Sb a metal, semiconductor, or insulator?
Is MnNi2Sb thermodynamically stable?
What is the crystal structure of MnNi2Sb?
What is the density of MnNi2Sb?
How many polymorphs of MnNi2Sb are known?
What elements does MnNi2Sb contain?
Where does the data for MnNi2Sb come from?
How It Compares
Within the skutterudite thermoelectrics class.
Within the broader class of skutterudite and pnictide-based materials, MnNi2Sb occupies a distinct niche compared to more common binary phases like NiP or FeP. While many of its siblings exhibit stable, well-defined semiconducting behavior, MnNi2Sb is noted for its metastability and metallic character, making it a unique outlier that challenges standard structural trends observed in more conventional members like CoP2 or NiP2.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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