Mn2Nb1Ti1
Mn2Nb1Ti1 is a semimetallic ternary compound composed of manganese, niobium, and titanium that exhibits complex structural characteristics.
About Mn2Nb1Ti1
Mn2Nb1Ti1 is a complex ternary compound composed of manganese, niobium, and titanium. Characterized by a near-zero-gap electronic structure, it functions as a semimetallic material, positioning it at the intersection of metallic conductivity and semiconducting behavior.
While this compound has been identified across numerous structural variations in databases, its thermodynamic profile indicates it sits above the stability hull. This suggests that while it can be synthesized or modeled in various configurations, it remains a metastable phase that requires specific conditions for formation.
Key Properties
Cross-validated computational properties for Mn2Nb1Ti1, 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 Mn2Nb1Ti1, 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 | 0.09 | 3.5452 | -5.739 | 0.62 |
| Cmm2 (No. 35) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Mn2Nb1Ti1, answered from cross-validated data.
What is Mn2Nb1Ti1?
Mn2Nb1Ti1 is a semimetallic ternary compound composed of manganese, niobium, and titanium that exhibits complex structural characteristics.
What is the band gap of Mn2Nb1Ti1?
Is Mn2Nb1Ti1 a metal, semiconductor, or insulator?
Is Mn2Nb1Ti1 thermodynamically stable?
What is the crystal structure of Mn2Nb1Ti1?
What is the density of Mn2Nb1Ti1?
How many polymorphs of Mn2Nb1Ti1 are known?
What elements does Mn2Nb1Ti1 contain?
Where does the data for Mn2Nb1Ti1 come from?
How It Compares
As a unique ternary phase, Mn2Nb1Ti1 represents a specialized case within its structural class. Without direct siblings for comparison, it serves as a primary example of how mixing transition metals like manganese, niobium, and titanium can lead to complex, semimetallic phases that challenge thermodynamic stability limits.
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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