NbTc
NbTc is a thermodynamically stable metallic alloy formed from niobium and technetium.
About NbTc
NbTc is a binary metallic compound composed of niobium and technetium. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of these transition metals.
Its metallic nature suggests high electrical conductivity, making it an interesting subject for fundamental research into transition metal alloys. With extensive structural data available across multiple databases, it serves as a well-documented reference point for understanding the interplay between these specific elements.
Key Properties
Cross-validated computational properties for NbTc, 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 NbTc. 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.
Reported Structures
Lowest-energy structures reported for NbTc, 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. |
|---|---|---|---|---|---|
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0000 | -25.497 | 9.80 |
| P1 (No. 1) | Triclinic | — | — | — | 11.22 |
| P1 (No. 1) | Triclinic | — | — | — | 7.10 |
| P1 (No. 1) | Triclinic | — | — | — | 10.48 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.73 |
| P21/m (No. 11) | Monoclinic | — | — | — | 8.73 |
| P21/c (No. 14) | Monoclinic | — | — | — | 10.42 |
| P21/m (No. 11) | Monoclinic | — | — | — | 9.55 |
| P1 (No. 1) | Triclinic | — | — | — | 9.52 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.49 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.01 |
| P1 (No. 1) | Triclinic | — | — | — | 7.26 |
Applications
Where NbTc is used.
Frequently Asked Questions
Common questions about NbTc, answered from cross-validated data.
What is NbTc?
NbTc is a thermodynamically stable metallic alloy formed from niobium and technetium.
What is NbTc used for?
What is the band gap of NbTc?
Is NbTc a metal, semiconductor, or insulator?
Is NbTc thermodynamically stable?
What is the crystal structure of NbTc?
What is the density of NbTc?
How many polymorphs of NbTc are known?
What elements does NbTc contain?
Where does the data for NbTc come from?
How It Compares
As a distinct binary intermetallic, NbTc occupies a unique position in the landscape of transition metal alloys, providing a stable structural benchmark for researchers investigating the complex phase behaviors of niobium-based systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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