MnNiSb
MnNiSb has a DFT band gap of Metallic / not reported across 13 reported structures in 2 space groups. Cross-validated across 4 computational databases.
Key Properties
Cross-validated computational properties for MnNiSb, 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 MnNiSb. 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.
Synthesis Routes
Literature-extracted synthesis procedures targeting MnNiSb.
Frequently Asked Questions
Common questions about MnNiSb, answered from cross-validated data.
What is the band gap of MnNiSb?
MnNiSb is computed to be metallic (no band gap) in the reported DFT structures.
Is MnNiSb a metal, semiconductor, or insulator?
Is MnNiSb thermodynamically stable?
How many polymorphs of MnNiSb are known?
How is MnNiSb synthesized?
What elements does MnNiSb contain?
Where does the data for MnNiSb come from?
Related Compounds
Other Skutterudite Thermoelectrics in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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