TcW
Technetium tungsten is a binary intermetallic compound composed of transition metals. It is primarily studied for its structural properties and behavior within high-temperature alloy research.
TcW
Overview
Key Properties
Cross-validated computational properties for TcW, 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.
Metallic / not reported
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.
0.106 eV/atom
Best (lowest) across sources
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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
165
4 databases, 27 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of TcW. 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.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
2
jarvis, materials_project
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
Reported Structures
Lowest-energy structures reported for TcW, 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 | 0.1056 | -38.561 | 15.08 |
| P3m1 (No. 156) | Trigonal | — | — | — | 11.91 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 14.24 |
| P21/m (No. 11) | Monoclinic | — | — | — | 15.31 |
| P21/m (No. 11) | Monoclinic | — | — | — | 13.41 |
| P21/m (No. 11) | Monoclinic | — | — | — | 14.33 |
| P1 (No. 1) | Triclinic | — | — | — | 11.78 |
| P1 (No. 1) | Triclinic | — | — | — | 14.35 |
| P1 (No. 1) | Triclinic | — | — | — | 13.40 |
| P2/m (No. 10) | Monoclinic | — | — | — | 14.75 |
| P-1 (No. 2) | Triclinic | — | — | — | 16.45 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 13.17 |
Uses
Applications
Where TcW is used.
Materials science researchFundamental physics studies
Reference
Frequently Asked Questions
Common questions about TcW, answered from cross-validated data.
What is TcW?
Technetium tungsten is a binary intermetallic compound composed of transition metals. It is primarily studied for its structural properties and behavior within high-temperature alloy research.
More questions
What is TcW used for?
TcW is used in materials science research and fundamental physics studies.
What is the band gap of TcW?
TcW is computed to be metallic (no band gap) in the reported DFT structures.
Is TcW a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is TcW thermodynamically stable?
TcW has a lowest energy above hull of 0.106 eV/atom (above hull).
What is the crystal structure of TcW?
The lowest-energy reported polymorph of TcW is orthorhombic symmetry, space group Cmmm (No. 65).
What is the density of TcW?
The computed density of the ground-state structure of TcW is 15.08 g/cm³.
How many polymorphs of TcW are known?
165 structures of TcW are reported across 4 databases, spanning 27 distinct space groups.
What elements does TcW contain?
TcW contains Tc and W (2 elements).
Where does the data for TcW come from?
TcW data is cross-referenced from materials_project, mpaloe.
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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