Mo1Nb2Tc1
Mo1Nb2Tc1 is a metastable ternary semimetallic compound composed of molybdenum, niobium, and technetium.
About Mo1Nb2Tc1
Mo1Nb2Tc1 is a complex ternary metallic compound composed of molybdenum, niobium, and technetium. Its electronic structure exhibits a near-zero-gap character, placing it in the semimetallic regime where charge carrier behavior is highly sensitive to atomic arrangement.
Due to its position above the thermodynamic hull, this phase is considered metastable. It is characterized by a significant structural diversity, with numerous reported configurations, highlighting the complex interplay between its constituent transition metals.
Key Properties
Cross-validated computational properties for Mo1Nb2Tc1, 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 Mo1Nb2Tc1, 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 | 0.01 | 4.3196 | -21.203 | 0.75 |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Mo1Nb2Tc1, answered from cross-validated data.
What is Mo1Nb2Tc1?
Mo1Nb2Tc1 is a metastable ternary semimetallic compound composed of molybdenum, niobium, and technetium.
What is the band gap of Mo1Nb2Tc1?
Is Mo1Nb2Tc1 a metal, semiconductor, or insulator?
Is Mo1Nb2Tc1 thermodynamically stable?
What is the crystal structure of Mo1Nb2Tc1?
What is the density of Mo1Nb2Tc1?
How many polymorphs of Mo1Nb2Tc1 are known?
What elements does Mo1Nb2Tc1 contain?
Where does the data for Mo1Nb2Tc1 come from?
How It Compares
As a unique ternary phase, Mo1Nb2Tc1 serves as an intriguing case study in transition metal alloy systems. Without direct structural siblings in this specific class, it stands as a singular example of how molybdenum, niobium, and technetium can combine to form metastable semimetallic architectures.
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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