Mn2Si1Ta1
Mn2Si1Ta1 is a semiconducting ternary compound containing manganese, silicon, and tantalum that exhibits significant structural complexity.
About Mn2Si1Ta1
Mn2Si1Ta1 is a complex ternary compound composed of manganese, silicon, and tantalum. Its electronic character is defined as semiconducting, marking it as a material of interest for researchers investigating the intersection of transition metal silicides and electronic properties.
Despite its structural diversity, with numerous reported configurations, the compound is identified as being above the thermodynamic hull. This suggests that the phase is likely unstable under standard conditions, positioning it as a subject for advanced synthesis studies rather than bulk industrial application.
Key Properties
Cross-validated computational properties for Mn2Si1Ta1, aggregated across 2 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 Mn2Si1Ta1, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.23 | 3.5212 | -5.809 | 0.76 |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Mn2Si1Ta1, answered from cross-validated data.
What is Mn2Si1Ta1?
Mn2Si1Ta1 is a semiconducting ternary compound containing manganese, silicon, and tantalum that exhibits significant structural complexity.
What is the band gap of Mn2Si1Ta1?
Is Mn2Si1Ta1 a metal, semiconductor, or insulator?
Is Mn2Si1Ta1 thermodynamically stable?
What is the crystal structure of Mn2Si1Ta1?
What is the density of Mn2Si1Ta1?
How many polymorphs of Mn2Si1Ta1 are known?
What elements does Mn2Si1Ta1 contain?
Where does the data for Mn2Si1Ta1 come from?
How It Compares
As a unique ternary phase, Mn2Si1Ta1 represents a specialized case within the broader landscape of transition metal silicides. While many silicides are prized for their high stability and robustness, this compound stands out for its structural variety and its status as a metastable phase, highlighting the complex phase space inherent in multi-element systems.
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).
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