K3Tc
This is a ternary intermetallic compound composed of potassium and technetium. It belongs to a class of materials studied for their structural properties and electronic behavior in specialized solid-state chemistry research.
KTc
Overview
Key Properties
Cross-validated computational properties for K3Tc, aggregated across 5 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.
1.195 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
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
8
5 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for K3Tc, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 1.1951 | -9.810 | 2.00 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 1.2071 | -9.798 | 1.98 |
| — | — | — | — | — | 1.23 |
| P1 (No. 1) | Triclinic | — | — | — | 1.46 |
| P1 (No. 1) | Triclinic | — | — | — | 1.48 |
| Pm-3m (No. 221) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 1.54 |
| C2/m (No. 12) | — | — | — | — | — |
Uses
Applications
Where K3Tc is used.
Fundamental solid-state physics researchMaterials science studies
Reference
Frequently Asked Questions
Common questions about K3Tc, answered from cross-validated data.
What is K3Tc?
This is a ternary intermetallic compound composed of potassium and technetium. It belongs to a class of materials studied for their structural properties and electronic behavior in specialized solid-state chemistry research.
More questions
What is K3Tc used for?
K3Tc is used in fundamental solid-state physics research and materials science studies.
What is the band gap of K3Tc?
K3Tc is computed to be metallic (no band gap) in the reported DFT structures.
Is K3Tc a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is K3Tc thermodynamically stable?
K3Tc has a lowest energy above hull of 1.195 eV/atom (above hull).
What is the crystal structure of K3Tc?
The lowest-energy reported polymorph of K3Tc is cubic symmetry, space group Fm-3m (No. 225).
What is the density of K3Tc?
The computed density of the ground-state structure of K3Tc is 2.00 g/cm³.
How many polymorphs of K3Tc are known?
8 structures of K3Tc are reported across 5 databases, spanning 5 distinct space groups.
What elements does K3Tc contain?
K3Tc contains K and Tc (2 elements).
Where does the data for K3Tc come from?
K3Tc data is cross-referenced from materials_project, omat24, mpaloe, jarvis, nomad.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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